36160-84-6,MFCD00028181
Catalog No.:AA00BYMG

36160-84-6 | 2-Chloro-n-(4-phenoxyphenyl)acetamide

Pack Size
Purity
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Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
10mg
>95%
1 week  
$358.00   $250.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BYMG
Chemical Name:
2-Chloro-n-(4-phenoxyphenyl)acetamide
CAS Number:
36160-84-6
Molecular Formula:
C14H12ClNO2
Molecular Weight:
261.7036
MDL Number:
MFCD00028181
SMILES:
ClCC(=O)Nc1ccc(cc1)Oc1ccccc1
Properties
Computed Properties
 
Complexity:
259  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:CorporacionQuimicoFarmaceuticaEsteveSA-US2004/58920,2004,A1Locationinpatent:Page/Pagecolumn17

[2]Papadopoulou,MariaV.;Bloomer,WilliamD.;Rosenzweig,HowardS.;O'Shea,IvanP.;Wilkinson,ShaneR.;Kaiser,Marcel;Chatelain,Eric;Ioset,Jean-Robert[BioorganicandMedicinalChemistry,2015,vol.23,#19,p.6467-6476]

[3]CurrentPatentAssignee:CorporacionQuimicoFarmaceuticaEsteveSA-WO2005/14000,2005,A1Locationinpatent:Page/Pagecolumn280

[4]Flipo,Marion;Willand,Nicolas;Lecat-Guillet,Nathalie;Hounsou,Candide;Desroses,Matthieu;Leroux,Florence;Lens,Zoé;Villeret,Vincent;Wohlkönig,Alexandre;Wintjens,René;Christophe,Thierry;KyoungJeon,Hee;Locht,Camille;Brodin,Priscille;Baulard,AlainR;Déprez,Benoit[JournalofMedicinalChemistry,2012,vol.55,#14,p.6391-6402]

[5]Virsis,I.E.;Silaraya,D.A.;Grinberga,B.A.;Prikulis,A.A.;Gerbashevska,I.D.;Orenish,M.E.[PharmaceuticalChemistryJournal,1981,vol.15,#12,p.849-853][Khimiko-FarmatsevticheskiiZhurnal,1981,vol.15,#12,p.23-26]

[6]Zhao,Hai-Long;Zhou,Jie;Song,Hong-Rui;Xu,Bai-Ling[ChineseChemicalLetters,2014,vol.25,#3,p.411-414]

[7]Babkov,DenisA.;Khandazhinskaya,AnastasiaL.;Chizhov,AlexanderO.;Andrei,Graciela;Snoeck,Robert;Seley-Radtke,KatherineL.;Novikov,MikhailS.[BioorganicandMedicinalChemistry,2015,vol.23,#21,p.7035-7044]

[8]Bateman;Nguyen;Roberts;Miyamoto;Ku;Huffman;Petri;Heslin;Contreras;Skibola;Olzmann;Nomura[ChemicalCommunications,2017,vol.53,#53,p.7234-7237]

[9]Roberts;Dains[UniversityofKansasScienceBulletin,1938,vol.25,p.213,219]

[10]Cho,Su-Dong;Park,Yong-Dae;Kim,Jeum-Jong;Lee,Sang-Gyeong;Ma,Chen;Song,Sang-Yong;Joo,Woo-Hong;Falck;Shiro,Motoo;Shin,Dong-Soo;Yoon,Yong-Jin[JournalofOrganicChemistry,2003,vol.68,#20,p.7918-7920]

[11]DeLaRosa,Martha;Kim,HongWoo;Gunic,Esmir;Jenket,Cheryl;Boyle,Uyen;Koh,Yung-hyo;Korboukh,Ilia;Allan,Matthew;Zhang,Weijian;Chen,Huanming;Xu,Wen;Nilar,Shahul;Yao,Nanhua;Hamatake,Robert;Lang,StanleyA.;Hong,Zhi;Zhang,Zhijun;Girardet,Jean-Luc[BioorganicandMedicinalChemistryLetters,2006,vol.16,#17,p.4444-4449]

[12]Locationinpatent:experimentalpartTiew,Kok-Chuan;Dou,Dengfeng;Teramoto,Tadahisa;Lai,Huiguo;Alliston,KevinR.;Lushington,GeraldH.;Padmanabhan;Groutas,WilliamC.[BioorganicandMedicinalChemistry,2012,vol.20,#3,p.1213-1221]

[13]CurrentPatentAssignee:MASSGENERALBRIGHAMINC;INRS-WO2012/116010,2012,A2Locationinpatent:Page/Pagecolumn29

[14]CurrentPatentAssignee:INRS;MASSGENERALBRIGHAMINC-WO2014/176258,2014,A1Locationinpatent:Page/Pagecolumn28

[15]Wang,Guangcheng;Li,Xin;Wang,Jing;Xie,Zhenzhen;Li,Luyao;Chen,Ming;Chen,Shan;Peng,Yaping[BioorganicandMedicinalChemistryLetters,2017,vol.27,#5,p.1115-1118]

[16]CurrentPatentAssignee:WARF(in:UniversityofWisconsin);UNIVERSITYOFWISCONSINSYSTEM-US2017/231962,2017,A1Locationinpatent:Paragraph0284;0285

[17]Aguilera,RenatoJ.;Choe,Jun-yong;Hess,JessicaD.;Iancu,CristinaV.;Macias,LucasantiagoHenze;Meyer-Almes,Franz-Josef;Mrowka,Piotr;Ramaa,C.S.;Tilekar,Kalpana;Upadhyay,Neha[EuropeanJournalofMedicinalChemistry,2020,vol.202]

[18]Andrei,Graciela;Khandazhinskaya,AnastasiaL.;Novikov,MikhailS.;Paramonova,MariaP.;Snoeck,Robert[MendeleevCommunications,2020,vol.30,#5,p.602-603]

36160-84-6    24807-55-4   
2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-phenoxyphenyl)acetamide 

[1]BioorganicandMedicinalChemistry,2015,vol.23,p.6467-6476

23417-29-0    36160-84-6   
6-methyl-N-(4-phenoxyphenyl)benzodoxazol-2-amine 

[1]Wang,Guang-Cheng;Wang,Jing;Li,Lu-Yao;Chen,Shan;Peng,Ya-Ping;Xie,Zhen-Zhen;Chen,Ming;Deng,Bin;Li,Wen-Biao[Heterocycles,2017,vol.94,#7,p.1257-1268]

36160-84-6    13451-78-0   
5-fluoro-N-(4-phenoxyphenyl)benzodoxazol-2-amine 

[1]Heterocycles,2017,vol.94,p.1257-1268

36160-84-6    22876-22-8   
5-methyl-N-(4-phenoxyphenyl)benzodoxazol-2-amine 

[1]Heterocycles,2017,vol.94,p.1257-1268

Literature

Title: Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.

Journal: Journal of medicinal chemistry 20120726

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SDS
Tags:36160-84-6 Molecular Formula|36160-84-6 MDL|36160-84-6 SMILES|36160-84-6 2-Chloro-n-(4-phenoxyphenyl)acetamide
Catalog No.: AA00BYMG
36160-84-6,MFCD00028181
36160-84-6 | 2-Chloro-n-(4-phenoxyphenyl)acetamide
Pack Size: 1mg
Purity: >95%
1 week
$299.00 $209.00
Pack Size: 5mg
Purity: >95%
1 week
$319.00 $223.00
Pack Size: 10mg
Purity: >95%
1 week
$358.00 $250.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00BYMG
Chemical Name: 2-Chloro-n-(4-phenoxyphenyl)acetamide
CAS Number: 36160-84-6
Molecular Formula: C14H12ClNO2
Molecular Weight: 261.7036
MDL Number: MFCD00028181
SMILES: ClCC(=O)Nc1ccc(cc1)Oc1ccccc1
Properties
Complexity: 259  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Downstream Synthesis Route
79-04-9    139-59-3    36160-84-6 

[1]CurrentPatentAssignee:CorporacionQuimicoFarmaceuticaEsteveSA-US2004/58920,2004,A1Locationinpatent:Page/Pagecolumn17

[2]Papadopoulou,MariaV.;Bloomer,WilliamD.;Rosenzweig,HowardS.;O'Shea,IvanP.;Wilkinson,ShaneR.;Kaiser,Marcel;Chatelain,Eric;Ioset,Jean-Robert[BioorganicandMedicinalChemistry,2015,vol.23,#19,p.6467-6476]

[3]CurrentPatentAssignee:CorporacionQuimicoFarmaceuticaEsteveSA-WO2005/14000,2005,A1Locationinpatent:Page/Pagecolumn280

[4]Flipo,Marion;Willand,Nicolas;Lecat-Guillet,Nathalie;Hounsou,Candide;Desroses,Matthieu;Leroux,Florence;Lens,Zoé;Villeret,Vincent;Wohlkönig,Alexandre;Wintjens,René;Christophe,Thierry;KyoungJeon,Hee;Locht,Camille;Brodin,Priscille;Baulard,AlainR;Déprez,Benoit[JournalofMedicinalChemistry,2012,vol.55,#14,p.6391-6402]

[5]Virsis,I.E.;Silaraya,D.A.;Grinberga,B.A.;Prikulis,A.A.;Gerbashevska,I.D.;Orenish,M.E.[PharmaceuticalChemistryJournal,1981,vol.15,#12,p.849-853][Khimiko-FarmatsevticheskiiZhurnal,1981,vol.15,#12,p.23-26]

[6]Zhao,Hai-Long;Zhou,Jie;Song,Hong-Rui;Xu,Bai-Ling[ChineseChemicalLetters,2014,vol.25,#3,p.411-414]

[7]Babkov,DenisA.;Khandazhinskaya,AnastasiaL.;Chizhov,AlexanderO.;Andrei,Graciela;Snoeck,Robert;Seley-Radtke,KatherineL.;Novikov,MikhailS.[BioorganicandMedicinalChemistry,2015,vol.23,#21,p.7035-7044]

[8]Bateman;Nguyen;Roberts;Miyamoto;Ku;Huffman;Petri;Heslin;Contreras;Skibola;Olzmann;Nomura[ChemicalCommunications,2017,vol.53,#53,p.7234-7237]

[9]Roberts;Dains[UniversityofKansasScienceBulletin,1938,vol.25,p.213,219]

[10]Cho,Su-Dong;Park,Yong-Dae;Kim,Jeum-Jong;Lee,Sang-Gyeong;Ma,Chen;Song,Sang-Yong;Joo,Woo-Hong;Falck;Shiro,Motoo;Shin,Dong-Soo;Yoon,Yong-Jin[JournalofOrganicChemistry,2003,vol.68,#20,p.7918-7920]

[11]DeLaRosa,Martha;Kim,HongWoo;Gunic,Esmir;Jenket,Cheryl;Boyle,Uyen;Koh,Yung-hyo;Korboukh,Ilia;Allan,Matthew;Zhang,Weijian;Chen,Huanming;Xu,Wen;Nilar,Shahul;Yao,Nanhua;Hamatake,Robert;Lang,StanleyA.;Hong,Zhi;Zhang,Zhijun;Girardet,Jean-Luc[BioorganicandMedicinalChemistryLetters,2006,vol.16,#17,p.4444-4449]

[12]Locationinpatent:experimentalpartTiew,Kok-Chuan;Dou,Dengfeng;Teramoto,Tadahisa;Lai,Huiguo;Alliston,KevinR.;Lushington,GeraldH.;Padmanabhan;Groutas,WilliamC.[BioorganicandMedicinalChemistry,2012,vol.20,#3,p.1213-1221]

[13]CurrentPatentAssignee:MASSGENERALBRIGHAMINC;INRS-WO2012/116010,2012,A2Locationinpatent:Page/Pagecolumn29

[14]CurrentPatentAssignee:INRS;MASSGENERALBRIGHAMINC-WO2014/176258,2014,A1Locationinpatent:Page/Pagecolumn28

[15]Wang,Guangcheng;Li,Xin;Wang,Jing;Xie,Zhenzhen;Li,Luyao;Chen,Ming;Chen,Shan;Peng,Yaping[BioorganicandMedicinalChemistryLetters,2017,vol.27,#5,p.1115-1118]

[16]CurrentPatentAssignee:WARF(in:UniversityofWisconsin);UNIVERSITYOFWISCONSINSYSTEM-US2017/231962,2017,A1Locationinpatent:Paragraph0284;0285

[17]Aguilera,RenatoJ.;Choe,Jun-yong;Hess,JessicaD.;Iancu,CristinaV.;Macias,LucasantiagoHenze;Meyer-Almes,Franz-Josef;Mrowka,Piotr;Ramaa,C.S.;Tilekar,Kalpana;Upadhyay,Neha[EuropeanJournalofMedicinalChemistry,2020,vol.202]

[18]Andrei,Graciela;Khandazhinskaya,AnastasiaL.;Novikov,MikhailS.;Paramonova,MariaP.;Snoeck,Robert[MendeleevCommunications,2020,vol.30,#5,p.602-603]

36160-84-6    24807-55-4   
2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-phenoxyphenyl)acetamide 

[1]BioorganicandMedicinalChemistry,2015,vol.23,p.6467-6476

23417-29-0    36160-84-6   
6-methyl-N-(4-phenoxyphenyl)benzodoxazol-2-amine 

[1]Wang,Guang-Cheng;Wang,Jing;Li,Lu-Yao;Chen,Shan;Peng,Ya-Ping;Xie,Zhen-Zhen;Chen,Ming;Deng,Bin;Li,Wen-Biao[Heterocycles,2017,vol.94,#7,p.1257-1268]

36160-84-6    13451-78-0   
5-fluoro-N-(4-phenoxyphenyl)benzodoxazol-2-amine 

[1]Heterocycles,2017,vol.94,p.1257-1268

36160-84-6    22876-22-8   
5-methyl-N-(4-phenoxyphenyl)benzodoxazol-2-amine 

[1]Heterocycles,2017,vol.94,p.1257-1268

Literature fold

Title: Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.

Journal: Journal of medicinal chemistry20120726

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