3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid

C15H11Cl2NO4 — CID 28667648

IUPAC3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid
SMILESCOc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO4/c1-22-13-11(17)6-9(15(20)21)7-12(13)18-14(19)8-2-4-10(16)5-3-8/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyVQABHJRUVCAOJV-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.95
Rot. Bonds4

About 3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid

3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid (PubChem CID 28667648) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is 3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid
PubChem CID28667648
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid
SMILESCOc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO4/c1-22-13-11(17)6-9(15(20)21)7-12(13)18-14(19)8-2-4-10(16)5-3-8/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyVQABHJRUVCAOJV-UHFFFAOYSA-N
XLogP3.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid
CID 28668233
3-chloro-5-[(4-chlorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 28687195
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
3-(butanoylamino)-5-chloro-4-methoxybenzoic acid
CID 25239385
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
3-chloro-4-methoxy-5-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid
CID 28687773
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948
3-[(3,5-dichloro-4-methoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 22778973
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
3,5-dichloro-4-[(4-chlorobenzoyl)carbamothioylamino]benzoic acid
CID 50849927

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid (CID 28667648) is 3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid is COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid?
The InChIKey is VQABHJRUVCAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c1-22-13-11(17)6-9(15(20)21)7-12(13)18-14(19)8-2-4-10(16)5-3-8/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid?
3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid has a molecular weight of 340.16 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 28667648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).