2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzoic acid

2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzoic acid

CAS: 1566-81-0

Formula: C15H11F3N2O3

SMILES: OC(=O)C1=CC=CC=C1NC(=O)NC1=CC=CC(=C1)C(F)(F)F

IUPAC: 2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzoic acid

InChI: InChI=1S/C15H11F3N2O3/c16-15(17,18)9-4-3-5-10(8-9)19-14(23)20-12-7-2-1-6-11(12)13(21)22/h1-8H,(H,21,22)(H2,19,20,23)

Composition: C (55.56%), H (3.42%), F (17.58%), N (8.64%), O (14.80%)

Molar Mass: 324.259

Atom Count: 34

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	324.072176711
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	CTNQAPPDQTYTHM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.28
Topological Polar Surface Area	78.43
Polarizability	27.65
Ring Count	2
Rotatable Bond Count	4

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