2-[3-(2-carboxyanilino)anilino]benzoic acid

C20H16N2O4 — CID 21179580

IUPAC2-[3-(2-carboxyanilino)anilino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc(Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C20H16N2O4/c23-19(24)15-8-1-3-10-17(15)21-13-6-5-7-14(12-13)22-18-11-4-2-9-16(18)20(25)26/h1-12,21-22H,(H,23,24)(H,25,26)
InChIKeyKYOGJFINWXDGLI-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.57
Rot. Bonds6

About 2-[3-(2-carboxyanilino)anilino]benzoic acid

2-[3-(2-carboxyanilino)anilino]benzoic acid (PubChem CID 21179580) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[3-(2-carboxyanilino)anilino]benzoic acid.

Molecular Properties

Compound Name2-[3-(2-carboxyanilino)anilino]benzoic acid
PubChem CID21179580
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-[3-(2-carboxyanilino)anilino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc(Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C20H16N2O4/c23-19(24)15-8-1-3-10-17(15)21-13-6-5-7-14(12-13)22-18-11-4-2-9-16(18)20(25)26/h1-12,21-22H,(H,23,24)(H,25,26)
InChIKeyKYOGJFINWXDGLI-UHFFFAOYSA-N
XLogP4.57
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-carboxyanilino)anilino]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-anilinobenzoic acid;N-phenylaniline
CID 68732454
sodium;2-anilinobenzoic acid;formate
CID 174516679
2-(3-butylanilino)benzoic acid
CID 86186147
2-(4-hydroxyanilino)benzoic acid
CID 11593806
2-[3-(2-carboxy-4-methylanilino)anilino]-5-methylbenzoic acid
CID 10785748
2-(3-propoxyanilino)benzoic acid
CID 154130973
2-[3-[4-(1-adamantyl)anilino]anilino]benzoic acid
CID 155133571
bis(2-anilinophenyl)methanone
CID 141301141
2-[[2-(3-bromoanilino)-3,4-dioxocyclobuten-1-yl]amino]benzoic acid
CID 18473844
2-(3-phenylanilino)benzamide
CID 44596232
2-(1,3-benzodioxol-5-ylamino)benzoic acid
CID 643226
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-carboxyanilino)anilino]benzoic acid?
The IUPAC name of 2-[3-(2-carboxyanilino)anilino]benzoic acid (CID 21179580) is 2-[3-(2-carboxyanilino)anilino]benzoic acid.
What is the SMILES notation for 2-[3-(2-carboxyanilino)anilino]benzoic acid?
The canonical SMILES for 2-[3-(2-carboxyanilino)anilino]benzoic acid is O=C(O)c1ccccc1Nc1cccc(Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[3-(2-carboxyanilino)anilino]benzoic acid?
The InChIKey is KYOGJFINWXDGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-19(24)15-8-1-3-10-17(15)21-13-6-5-7-14(12-13)22-18-11-4-2-9-16(18)20(25)26/h1-12,21-22H,(H,23,24)(H,25,26).
What are the key properties of 2-[3-(2-carboxyanilino)anilino]benzoic acid?
2-[3-(2-carboxyanilino)anilino]benzoic acid has a molecular weight of 348.36 g/mol, XLogP of 4.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-carboxyanilino)anilino]benzoic acid is sourced from PubChem (CID 21179580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).