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Home Halogens N-(4-Aminophenyl)-4-chlorobenzamide

N-(4-Aminophenyl)-4-chlorobenzamide

CAS No.:
23600-46-6
Catalog Number:
AG00CCE7
Molecular Formula:
C13H11ClN2O
Molecular Weight:
246.6922
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Product Description
Catalog Number:
AG00CCE7
Chemical Name:
N-(4-Aminophenyl)-4-chlorobenzamide
CAS Number:
23600-46-6
Molecular Formula:
C13H11ClN2O
Molecular Weight:
246.6922
MDL Number:
MFCD01027215
IUPAC Name:
N-(4-aminophenyl)-4-chlorobenzamide
InChI:
InChI=1S/C13H11ClN2O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,15H2,(H,16,17)
InChI Key:
CYSQNIFSCOEHDN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)NC(=O)c1ccc(cc1)Cl
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.694g/mol
Monoisotopic Mass:
246.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Cyclooxygenase-1-selective inhibitors are attractive candidates for analgesics that do not cause gastric damage. design and in vitro/in vivo evaluation of a benzamide-type cyclooxygenase-1 selective inhibitor. Journal of medicinal chemistry 20080424
Properties