4-amino-2-phenylbenzoic acid

C13H11NO2 — CID 23207406

IUPAC4-amino-2-phenylbenzoic acid
SMILESNc1ccc(C(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C13H11NO2/c14-10-6-7-11(13(15)16)12(8-10)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)
InChIKeyKDPVECKHWIOFNR-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.63
Rot. Bonds2

About 4-amino-2-phenylbenzoic acid

4-amino-2-phenylbenzoic acid (PubChem CID 23207406) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-amino-2-phenylbenzoic acid.

Molecular Properties

Compound Name4-amino-2-phenylbenzoic acid
PubChem CID23207406
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name4-amino-2-phenylbenzoic acid
SMILESNc1ccc(C(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C13H11NO2/c14-10-6-7-11(13(15)16)12(8-10)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)
InChIKeyKDPVECKHWIOFNR-UHFFFAOYSA-N
XLogP2.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenylbenzoic acid?
The IUPAC name of 4-amino-2-phenylbenzoic acid (CID 23207406) is 4-amino-2-phenylbenzoic acid.
What is the SMILES notation for 4-amino-2-phenylbenzoic acid?
The canonical SMILES for 4-amino-2-phenylbenzoic acid is Nc1ccc(C(=O)O)c(-c2ccccc2)c1.
What is the InChIKey of 4-amino-2-phenylbenzoic acid?
The InChIKey is KDPVECKHWIOFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c14-10-6-7-11(13(15)16)12(8-10)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16).
What are the key properties of 4-amino-2-phenylbenzoic acid?
4-amino-2-phenylbenzoic acid has a molecular weight of 213.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenylbenzoic acid is sourced from PubChem (CID 23207406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).