4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid

C16H14ClNO5 — CID 45436153

IUPAC4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)c(OC)c1
InChIInChI=1S/C16H14ClNO5/c1-22-10-4-6-12(14(8-10)23-2)15(19)18-13-7-9(17)3-5-11(13)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyPTXUAKNDJMHAHU-UHFFFAOYSA-N
MW335.74 g/mol
LogP3.31
Rot. Bonds5

About 4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid

4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid (PubChem CID 45436153) has the molecular formula C16H14ClNO5 and a molecular weight of 335.74 g/mol. Its IUPAC name is 4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid
PubChem CID45436153
Molecular FormulaC16H14ClNO5
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)c(OC)c1
InChIInChI=1S/C16H14ClNO5/c1-22-10-4-6-12(14(8-10)23-2)15(19)18-13-7-9(17)3-5-11(13)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyPTXUAKNDJMHAHU-UHFFFAOYSA-N
XLogP3.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81117783
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
CID 789234
N-(2-fluoro-5-methylphenyl)-2,4-dimethoxybenzamide
CID 16546475
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
CID 11990538
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid (CID 45436153) is 4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid is COc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)c(OC)c1.
What is the InChIKey of 4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid?
The InChIKey is PTXUAKNDJMHAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5/c1-22-10-4-6-12(14(8-10)23-2)15(19)18-13-7-9(17)3-5-11(13)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid?
4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid has a molecular weight of 335.74 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 45436153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).