3-(4-aminophenoxy)benzamide

• ChemBase ID: 272771
• Molecular Formular: C13H12N2O2
• Molecular Mass: 228.24658
• Monoisotopic Mass: 228.08987763
• SMILES: C(=O)(c1cc(Oc2ccc(N)cc2)ccc1)N
• Canonical SMILES: Nc1ccc(cc1)Oc1cccc(c1)C(=O)N
• InChI: InChI=1S/C13H12N2O2/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8H,14H2,(H2,15,16)
• InChIKey: MCPVWRXXEKBUQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-aminophenoxy)benzamide
• IUPAC Traditional name: 3-(4-aminophenoxy)benzamide
• Synonyms: 3-(4-aminophenoxy)benzamide

Database IDs

• MDL Number: MFCD11133180
• PubChem SID: 164328681
• PubChem CID: 23137210

CALCULATED PROPERTIES

• Acid pKa: 14.074265
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4746606
• LogD (pH = 7.4): 1.494982
• Log P: 1.4952474
• Molar Refractivity: 66.0776 cm^3
• Polarizability: 24.624048 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.526

Product Information

• Purity: 95%