CAS 4943-86-6 | 2-Amino-N-(4-chlorophenyl)benzamide | CAS Number 4943-86-6

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4943-86-6 | 2-Amino-N-(4-chlorophenyl)benzamide

CAS No: 4943-86-6 Catalog No: AG003GJK MDL No:MFCD00170586

Product Description

Catalog Number:

AG003GJK

Chemical Name:

2-Amino-N-(4-chlorophenyl)benzamide

CAS Number:

4943-86-6

Molecular Formula:

C13H11ClN2O

Molecular Weight:

246.6922

MDL Number:

MFCD00170586

IUPAC Name:

2-amino-N-(4-chlorophenyl)benzamide

InChI:

InChI=1S/C13H11ClN2O/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h1-8H,15H2,(H,16,17)

InChI Key:

RHCJFZKQYODIDI-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)NC(=O)c1ccccc1N

Properties

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.694g/mol

Monoisotopic Mass:

246.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

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