3-(4-amino-3-anilinophenyl)benzoic acid

C19H16N2O2 — CID 58425607

IUPAC3-(4-amino-3-anilinophenyl)benzoic acid
SMILESNc1ccc(-c2cccc(C(=O)O)c2)cc1Nc1ccccc1
InChIInChI=1S/C19H16N2O2/c20-17-10-9-14(13-5-4-6-15(11-13)19(22)23)12-18(17)21-16-7-2-1-3-8-16/h1-12,21H,20H2,(H,22,23)
InChIKeyJYFXQKLDDFJOTH-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.38
Rot. Bonds4

About 3-(4-amino-3-anilinophenyl)benzoic acid

3-(4-amino-3-anilinophenyl)benzoic acid (PubChem CID 58425607) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(4-amino-3-anilinophenyl)benzoic acid.

Molecular Properties

Compound Name3-(4-amino-3-anilinophenyl)benzoic acid
PubChem CID58425607
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-(4-amino-3-anilinophenyl)benzoic acid
SMILESNc1ccc(-c2cccc(C(=O)O)c2)cc1Nc1ccccc1
InChIInChI=1S/C19H16N2O2/c20-17-10-9-14(13-5-4-6-15(11-13)19(22)23)12-18(17)21-16-7-2-1-3-8-16/h1-12,21H,20H2,(H,22,23)
InChIKeyJYFXQKLDDFJOTH-UHFFFAOYSA-N
XLogP4.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-amino-3-(3-phenylanilino)phenyl]phenol
CID 88990792
4-amino-3-(3-chloroanilino)benzoic acid
CID 82785514
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(4-carboxyphenyl)benzoic acid
CID 11550488
4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine
CID 118429250
4-amino-3-[3-(methoxymethyl)anilino]benzoic acid
CID 82784847
4-amino-3-(2-tert-butylanilino)benzoic acid
CID 82777051
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
4-amino-3-anilino-N-ethylbenzamide
CID 55188757
4-amino-3-[2-(dimethylamino)anilino]benzoic acid
CID 106760641
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-anilinophenyl)benzoic acid?
The IUPAC name of 3-(4-amino-3-anilinophenyl)benzoic acid (CID 58425607) is 3-(4-amino-3-anilinophenyl)benzoic acid.
What is the SMILES notation for 3-(4-amino-3-anilinophenyl)benzoic acid?
The canonical SMILES for 3-(4-amino-3-anilinophenyl)benzoic acid is Nc1ccc(-c2cccc(C(=O)O)c2)cc1Nc1ccccc1.
What is the InChIKey of 3-(4-amino-3-anilinophenyl)benzoic acid?
The InChIKey is JYFXQKLDDFJOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c20-17-10-9-14(13-5-4-6-15(11-13)19(22)23)12-18(17)21-16-7-2-1-3-8-16/h1-12,21H,20H2,(H,22,23).
What are the key properties of 3-(4-amino-3-anilinophenyl)benzoic acid?
3-(4-amino-3-anilinophenyl)benzoic acid has a molecular weight of 304.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-anilinophenyl)benzoic acid is sourced from PubChem (CID 58425607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).