3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid

C15H9Cl2FN2O4 — CID 11617637

IUPAC3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
SMILESO=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C15H9Cl2FN2O4/c16-10-6-8(18)2-3-9(10)13(21)20-15(24)19-12-4-1-7(14(22)23)5-11(12)17/h1-6H,(H,22,23)(H2,19,20,21,24)
InChIKeyOKSQDPONJDZBIN-UHFFFAOYSA-N
MW371.15 g/mol
LogP3.79
Rot. Bonds3

About 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid

3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid (PubChem CID 11617637) has the molecular formula C15H9Cl2FN2O4 and a molecular weight of 371.15 g/mol. Its IUPAC name is 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
PubChem CID11617637
Molecular FormulaC15H9Cl2FN2O4
Molecular Weight371.15 g/mol
Exact Mass369.99
IUPAC Name3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
SMILESO=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C15H9Cl2FN2O4/c16-10-6-8(18)2-3-9(10)13(21)20-15(24)19-12-4-1-7(14(22)23)5-11(12)17/h1-6H,(H,22,23)(H2,19,20,21,24)
InChIKeyOKSQDPONJDZBIN-UHFFFAOYSA-N
XLogP3.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.15
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic 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

2-amino-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
CID 11544848
2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide
CID 11681381
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190056
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
2-chloro-4-fluoro-N-[[2-methoxy-4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzamide
CID 12987324

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid (CID 11617637) is 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid is O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(C(=O)O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid?
The InChIKey is OKSQDPONJDZBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O4/c16-10-6-8(18)2-3-9(10)13(21)20-15(24)19-12-4-1-7(14(22)23)5-11(12)17/h1-6H,(H,22,23)(H2,19,20,21,24).
What are the key properties of 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid?
3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid has a molecular weight of 371.15 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 11617637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).