5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid

C15H9Cl2NO5 — CID 1288295

IUPAC5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(C(=O)O)c1
InChIInChI=1S/C15H9Cl2NO5/c16-9-1-2-11(12(17)6-9)13(19)18-10-4-7(14(20)21)3-8(5-10)15(22)23/h1-6H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyTVEMRRHVOXDFDV-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.64
Rot. Bonds4

About 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid

5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 1288295) has the molecular formula C15H9Cl2NO5 and a molecular weight of 354.15 g/mol. Its IUPAC name is 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID1288295
Molecular FormulaC15H9Cl2NO5
Molecular Weight354.15 g/mol
Exact Mass352.99
IUPAC Name5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(C(=O)O)c1
InChIInChI=1S/C15H9Cl2NO5/c16-9-1-2-11(12(17)6-9)13(19)18-10-4-7(14(20)21)3-8(5-10)15(22)23/h1-6H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyTVEMRRHVOXDFDV-UHFFFAOYSA-N
XLogP3.64
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid (CID 1288295) is 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid is O=C(O)c1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(C(=O)O)c1.
What is the InChIKey of 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is TVEMRRHVOXDFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO5/c16-9-1-2-11(12(17)6-9)13(19)18-10-4-7(14(20)21)3-8(5-10)15(22)23/h1-6H,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid?
5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 354.15 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorobenzoyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 1288295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).