2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid

C15H12ClNO4 — CID 63722745

IUPAC2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2C(=O)O)cc1
InChIInChI=1S/C15H12ClNO4/c1-21-10-7-5-9(6-8-10)14(18)17-12-4-2-3-11(16)13(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyUYSBMHAQCRQYOQ-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.30
Rot. Bonds4

About 2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid

2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid (PubChem CID 63722745) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
PubChem CID63722745
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2C(=O)O)cc1
InChIInChI=1S/C15H12ClNO4/c1-21-10-7-5-9(6-8-10)14(18)17-12-4-2-3-11(16)13(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyUYSBMHAQCRQYOQ-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-chloro-6-[(4-cyanobenzoyl)amino]benzoic acid
CID 63723423
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
CID 63723613
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid
CID 46916164
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
2-chloro-6-[(5-iodothiophene-3-carbonyl)amino]benzoic acid
CID 79685074
1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
CID 4825619
2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 63724956

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid (CID 63722745) is 2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid is COc1ccc(C(=O)Nc2cccc(Cl)c2C(=O)O)cc1.
What is the InChIKey of 2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid?
The InChIKey is UYSBMHAQCRQYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-21-10-7-5-9(6-8-10)14(18)17-12-4-2-3-11(16)13(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid?
2-chloro-6-[(4-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 2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 63722745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).