4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid

C16H14ClNO4 — CID 46916164

IUPAC4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c(C)cc2C(=O)O)cc1
InChIInChI=1S/C16H14ClNO4/c1-9-7-12(16(20)21)14(8-13(9)17)18-15(19)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyGWFUHZVZTIETHH-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.61
Rot. Bonds4

About 4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid

4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid (PubChem CID 46916164) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is 4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid
PubChem CID46916164
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c(C)cc2C(=O)O)cc1
InChIInChI=1S/C16H14ClNO4/c1-9-7-12(16(20)21)14(8-13(9)17)18-15(19)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyGWFUHZVZTIETHH-UHFFFAOYSA-N
XLogP3.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
N-(2-bromo-5-methoxyphenyl)-3-chloro-4-methylbenzamide
CID 63235634
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
4-chloro-3-[(4-methoxybenzoyl)amino]benzenesulfonic acid
CID 139946899

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid?
The IUPAC name of 4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid (CID 46916164) is 4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid is COc1ccc(C(=O)Nc2cc(Cl)c(C)cc2C(=O)O)cc1.
What is the InChIKey of 4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid?
The InChIKey is GWFUHZVZTIETHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-9-7-12(16(20)21)14(8-13(9)17)18-15(19)10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid?
4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid has a molecular weight of 319.74 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 46916164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).