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

C15H10Cl3NO4 — CID 28668233

IUPAC3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid
SMILESCOc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO4/c1-23-13-11(18)5-8(15(21)22)6-12(13)19-14(20)7-2-3-9(16)10(17)4-7/h2-6H,1H3,(H,19,20)(H,21,22)
InChIKeyVFMAVZAKWKKWGM-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.61
Rot. Bonds4

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

3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid (PubChem CID 28668233) has the molecular formula C15H10Cl3NO4 and a molecular weight of 374.61 g/mol. Its IUPAC name is 3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid
PubChem CID28668233
Molecular FormulaC15H10Cl3NO4
Molecular Weight374.61 g/mol
Exact Mass372.97
IUPAC Name3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid
SMILESCOc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3NO4/c1-23-13-11(18)5-8(15(21)22)6-12(13)19-14(20)7-2-3-9(16)10(17)4-7/h2-6H,1H3,(H,19,20)(H,21,22)
InChIKeyVFMAVZAKWKKWGM-UHFFFAOYSA-N
XLogP4.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-[(4-chlorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667648
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
3-chloro-5-[(4-chlorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 28687195
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
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
3-[(3,4-dichlorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 1328927
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 43358856
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
4-chloro-3-[(3,4-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3793222

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid (CID 28668233) is 3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid is COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid?
The InChIKey is VFMAVZAKWKKWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO4/c1-23-13-11(18)5-8(15(21)22)6-12(13)19-14(20)7-2-3-9(16)10(17)4-7/h2-6H,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid?
3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid has a molecular weight of 374.61 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 28668233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).