3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid

C15H12ClNO3 — CID 23208226

IUPAC3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
SMILESCc1ccccc1C(=O)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C15H12ClNO3/c1-9-5-2-3-6-10(9)14(18)17-13-11(15(19)20)7-4-8-12(13)16/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyZJLSMNVMWTUWCS-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.60
Rot. Bonds3

About 3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid

3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid (PubChem CID 23208226) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
PubChem CID23208226
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
SMILESCc1ccccc1C(=O)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C15H12ClNO3/c1-9-5-2-3-6-10(9)14(18)17-13-11(15(19)20)7-4-8-12(13)16/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyZJLSMNVMWTUWCS-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-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 107046881
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 107046486
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613
3-chloro-2-[(2,4-dibromobenzoyl)amino]benzoic acid
CID 107938398
3-chloro-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107047411
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid (CID 23208226) is 3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid is Cc1ccccc1C(=O)Nc1c(Cl)cccc1C(=O)O.
What is the InChIKey of 3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid?
The InChIKey is ZJLSMNVMWTUWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-9-5-2-3-6-10(9)14(18)17-13-11(15(19)20)7-4-8-12(13)16/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid?
3-chloro-2-[(2-methylbenzoyl)amino]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-chloro-2-[(2-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 23208226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).