2-(3-phenylanilino)benzoic acid

C19H15NO2 — CID 44521007

IUPAC2-(3-phenylanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H15NO2/c21-19(22)17-11-4-5-12-18(17)20-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13,20H,(H,21,22)
InChIKeyXWJQNRCWBQIBFD-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.80
Rot. Bonds4

About 2-(3-phenylanilino)benzoic acid

2-(3-phenylanilino)benzoic acid (PubChem CID 44521007) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(3-phenylanilino)benzoic acid.

Molecular Properties

Compound Name2-(3-phenylanilino)benzoic acid
PubChem CID44521007
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name2-(3-phenylanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H15NO2/c21-19(22)17-11-4-5-12-18(17)20-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13,20H,(H,21,22)
InChIKeyXWJQNRCWBQIBFD-UHFFFAOYSA-N
XLogP4.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-phenylanilino)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

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylanilino)benzoic acid?
The IUPAC name of 2-(3-phenylanilino)benzoic acid (CID 44521007) is 2-(3-phenylanilino)benzoic acid.
What is the SMILES notation for 2-(3-phenylanilino)benzoic acid?
The canonical SMILES for 2-(3-phenylanilino)benzoic acid is O=C(O)c1ccccc1Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(3-phenylanilino)benzoic acid?
The InChIKey is XWJQNRCWBQIBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-19(22)17-11-4-5-12-18(17)20-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13,20H,(H,21,22).
What are the key properties of 2-(3-phenylanilino)benzoic acid?
2-(3-phenylanilino)benzoic acid has a molecular weight of 289.33 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylanilino)benzoic acid is sourced from PubChem (CID 44521007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).