3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid

C15H12ClNO3 — CID 66254685

IUPAC3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
SMILESCc1cccc(Cl)c1NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H12ClNO3/c1-9-4-2-7-12(16)13(9)17-14(18)10-5-3-6-11(8-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyUFYNGDWGXILAGR-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.60
Rot. Bonds3

About 3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid

3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid (PubChem CID 66254685) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
PubChem CID66254685
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
SMILESCc1cccc(Cl)c1NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H12ClNO3/c1-9-4-2-7-12(16)13(9)17-14(18)10-5-3-6-11(8-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyUFYNGDWGXILAGR-UHFFFAOYSA-N
XLogP3.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
CID 81002737
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629237
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107031792
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
N-(2-chloro-6-methylphenyl)-4-methyl-3-nitrobenzamide
CID 711319
N-(2-chloro-6-methylphenyl)-1H-indole-6-carboxamide
CID 66255832
N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 66255840
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid (CID 66254685) is 3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid is Cc1cccc(Cl)c1NC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid?
The InChIKey is UFYNGDWGXILAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-9-4-2-7-12(16)13(9)17-14(18)10-5-3-6-11(8-10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid?
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid has a molecular weight of 289.72 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 66254685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).