N-(3-aminophenyl)-2-phenylacetamide

• ChemBase ID: 22628
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(Nc1cc(N)ccc1)Cc1ccccc1
• Canonical SMILES: O=C(Nc1cccc(c1)N)Cc1ccccc1
• InChI: InChI=1S/C14H14N2O/c15-12-7-4-8-13(10-12)16-14(17)9-11-5-2-1-3-6-11/h1-8,10H,9,15H2,(H,16,17)
• InChIKey: DAXUGYVWKQUGTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminophenyl)-2-phenylacetamide
• IUPAC Traditional name: N-(3-aminophenyl)-2-phenylacetamide
• Synonyms: N-(3-Aminophenyl)-2-phenylacetamide

Database IDs

• CAS Number: 85856-32-2
• MDL Number: MFCD01806275
• PubChem SID: 160985935
• PubChem CID: 8566622

CALCULATED PROPERTIES

• Acid pKa: 13.906992
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2035534
• LogD (pH = 7.4): 2.216206
• Log P: 2.21637
• Molar Refractivity: 70.3433 cm^3
• Polarizability: 25.952118 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false