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100990-57-6,MFCD00751523
Catalog No.:AA0003BC
100990-57-6 | Benzamide, N-[4-(1-methylethyl)phenyl]-
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50mg
98%
1 week  
$259.00
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Technical Information
Catalog Number:
AA0003BC
Chemical Name:
Benzamide, N-[4-(1-methylethyl)phenyl]-
CAS Number:
100990-57-6
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
MDL Number:
MFCD00751523
IUPAC Name:
N-(4-propan-2-ylphenyl)benzamide
InChI:
InChI=1S/C16H17NO/c1-12(2)13-8-10-15(11-9-13)17-16(18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,17,18)
InChI Key:
HWVROWYWWUNAGI-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)NC(=O)c1ccccc1)C
Properties
Computed Properties
 
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Synonyms
 
100990-57-6 
Benzamide, N-[4-(1-methylethyl)phenyl]- 
DTXSID70356122 
ZINC335796 
N-[4-(methylethyl)phenyl]benzamide 
STK167633 
AKOS001091892 
MCULE-1613721073 
ST50913552 
AO-548/09691046 
CID819839 
ZINC00335796 
N-[4-(propan-2-yl)phenyl]benzamide 
N-(4-propan-2-ylphenyl)benzamide 
AC1LGE8D 
ACMC-20m412 
N-(4-isopropylphenyl)benzamide 
SCHEMBL2563194 
CHEMBL3752686 
CTK0G8520 
Literature
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