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

C15H12ClNO4 — CID 107046812

IUPAC3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
SMILESCOc1cccc(C(=O)Nc2c(Cl)cccc2C(=O)O)c1
InChIInChI=1S/C15H12ClNO4/c1-21-10-5-2-4-9(8-10)14(18)17-13-11(15(19)20)6-3-7-12(13)16/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyICGKLMRNEGAWOR-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.30
Rot. Bonds4

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

3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid (PubChem CID 107046812) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
PubChem CID107046812
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
SMILESCOc1cccc(C(=O)Nc2c(Cl)cccc2C(=O)O)c1
InChIInChI=1S/C15H12ClNO4/c1-21-10-5-2-4-9(8-10)14(18)17-13-11(15(19)20)6-3-7-12(13)16/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyICGKLMRNEGAWOR-UHFFFAOYSA-N
XLogP3.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964
3-chloro-2-[(3-chloro-4-hydroxybenzoyl)amino]benzoic acid
CID 107047518
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 142699253
2-fluoro-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 103791449
N-(2-chloro-4-iodophenyl)-3-methoxybenzamide
CID 1371600
3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 60827348
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
3-chloro-2-[[4-(hydroxymethyl)benzoyl]amino]benzoic acid
CID 107046744
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid (CID 107046812) is 3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid is COc1cccc(C(=O)Nc2c(Cl)cccc2C(=O)O)c1.
What is the InChIKey of 3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid?
The InChIKey is ICGKLMRNEGAWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-21-10-5-2-4-9(8-10)14(18)17-13-11(15(19)20)6-3-7-12(13)16/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid?
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid has a molecular weight of 305.72 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107046812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).