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566926-08-7,MFCD08689696
Catalog No.:AA00EJ6X

566926-08-7 | 2-Cyano-n-[4-(trifluoromethyl)benzyl]acetamide

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EJ6X
Chemical Name:
2-Cyano-n-[4-(trifluoromethyl)benzyl]acetamide
CAS Number:
566926-08-7
Molecular Formula:
C11H9F3N2O
Molecular Weight:
242.1972
MDL Number:
MFCD08689696
SMILES:
N#CCC(=O)NCc1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
310  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Gu,Ling;Zhuang,Hui;Safina,Brian;Xiao,Xiao-Yi;Bradford,WallaceW.;Rich,BenjaminE.[BioorganicandMedicinalChemistry,2005,vol.13,#13,p.4269-4278]

[2]Guo,Diliang;Chen,Tao;Ye,Deju;Xu,Jinyi;Jiang,Hualiang;Chen,Kaixian;Wang,Hui;Liu,Hong[OrganicLetters,2011,vol.13,#11,p.2884-2887]

[3]Hizartzidis,Lacey;Gilbert,Jayne;Gordon,ChristopherP.;Sakoff,JennetteA.;McCluskey,Adam[ChemMedChem,2019,vol.14,#12,p.1152-1161]

[4]Yuan,Pengtao;Jiang,Xi;Wang,Siyu;Shao,Xusheng;Yang,Qing;Qian,Xuhong[JournalofAgriculturalandFoodChemistry,2020,vol.68,#47,p.13584-13593]

[5]Yuan,Pengtao;Gu,Xiangyu;Ni,Xintong;Qi,Yingxue;Shao,Xusheng;Xu,Xiaoyong;Liu,Jianwen;Qian,Xuhong[BioorganicandMedicinalChemistryLetters,2021,vol.51]

[1]Gu,Ling;Zhuang,Hui;Safina,Brian;Xiao,Xiao-Yi;Bradford,WallaceW.;Rich,BenjaminE.[BioorganicandMedicinalChemistry,2005,vol.13,#13,p.4269-4278]

[1]Guo,Diliang;Chen,Tao;Ye,Deju;Xu,Jinyi;Jiang,Hualiang;Chen,Kaixian;Wang,Hui;Liu,Hong[OrganicLetters,2011,vol.13,#11,p.2884-2887]

[1]Tang,Jing;Huber,AndrewD.;Pineda,DallasL.;Boschert,KelseyN.;Wolf,JenniferJ.;Kankanala,Jayakanth;Xie,Jiashu;Sarafianos,StefanG.;Wang,Zhengqiang[EuropeanJournalofMedicinalChemistry,2019,vol.164,p.179-192]

Literature
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