2-Chloro-N-(2,3-dimethylphenyl)benzamide - CAS 196617-88-6

Catalog:	BB069447
Product Name:	2-Chloro-N-(2,3-dimethylphenyl)benzamide
CAS:	196617-88-6
Synonyms:	Mefenamic RC2; NSC 164235

Technical Data

IUPAC Name:	2-chloro-N-(2,3-dimethylphenyl)benzamide
Description:	In 2-Chloro-N-(2,3-dimethylphenyl)benzamide, the amide group is inclined at 60.3 (1)° to the chloro-substituted benzoyl ring and at 59.2 (1)° to the dimethyl-substituted aniline ring. The mean planes through the two benzene rings make a dihedral angle of 7.7 (1)° and form a crystal structure.
Molecular Weight:	259.73
Molecular Formula:	C15H14ClNO
Canonical SMILES:	CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2Cl)C
InChI:	InChI=1S/C15H14ClNO/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16/h3-9H,1-2H3,(H,17,18)
InChI Key:	OUAGJVUPQKYHDU-UHFFFAOYSA-N
Melting Point:	124-127°C
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	White to Off-White Solid
Storage:	4°C
References:	Gowda, T. B.; et al. Acta Crystallographica, Section E: Structure Reports Online. 66, 1897 (2010).

Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.0763918
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	259.0763918
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6