5-amino-2-phenoxybenzamide

• ChemBase ID: 120870
• Molecular Formular: C13H12N2O2
• Molecular Mass: 228.24658
• Monoisotopic Mass: 228.08987763
• SMILES: c1(c(Oc2ccccc2)ccc(c1)N)C(=O)N
• Canonical SMILES: Nc1ccc(c(c1)C(=O)N)Oc1ccccc1
• InChI: InChI=1S/C13H12N2O2/c14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10/h1-8H,14H2,(H2,15,16)
• InChIKey: JLCAMHPHYZGTAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-phenoxybenzamide
• IUPAC Traditional name: 5-amino-2-phenoxybenzamide
• Synonyms: 5-amino-2-phenoxybenzamide

Database IDs

• PubChem SID: 162215223
• PubChem CID: 56828474

CALCULATED PROPERTIES

• Acid pKa: 13.609802
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4921921
• LogD (pH = 7.4): 1.495209
• Log P: 1.4952474
• Molar Refractivity: 66.0776 cm^3
• Polarizability: 24.626446 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true