3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid

C16H14ClNO5 — CID 28673376

IUPAC3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2OC)cc1Cl
InChIInChI=1S/C16H14ClNO5/c1-22-13-5-3-9(7-11(13)17)15(19)18-12-8-10(16(20)21)4-6-14(12)23-2/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyPJPHQGARAMRRRL-UHFFFAOYSA-N
MW335.74 g/mol
LogP3.31
Rot. Bonds5

About 3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid

3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid (PubChem CID 28673376) has the molecular formula C16H14ClNO5 and a molecular weight of 335.74 g/mol. Its IUPAC name is 3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
PubChem CID28673376
Molecular FormulaC16H14ClNO5
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2OC)cc1Cl
InChIInChI=1S/C16H14ClNO5/c1-22-13-5-3-9(7-11(13)17)15(19)18-12-8-10(16(20)21)4-6-14(12)23-2/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyPJPHQGARAMRRRL-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

3-[(3,4-dichlorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 1328927
3-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid
CID 5183804
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
3-[(3,5-dichloro-4-methoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 22778973
3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
CID 23968766
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 63744614
3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid
CID 28668233

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid (CID 28673376) is 3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2OC)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid?
The InChIKey is PJPHQGARAMRRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5/c1-22-13-5-3-9(7-11(13)17)15(19)18-12-8-10(16(20)21)4-6-14(12)23-2/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid?
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic 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 3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 28673376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).