N-(4-aminophenyl)-2-phenoxyacetamide

• ChemBase ID: 22686
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(Nc1ccc(N)cc1)COc1ccccc1
• Canonical SMILES: O=C(Nc1ccc(cc1)N)COc1ccccc1
• InChI: InChI=1S/C14H14N2O2/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10,15H2,(H,16,17)
• InChIKey: BKTOTYLPLPCSKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2-phenoxyacetamide
• IUPAC Traditional name: N-(4-aminophenyl)-2-phenoxyacetamide
• Synonyms: N-(4-Aminophenyl)-2-phenoxyacetamide

Database IDs

• MDL Number: MFCD00446208
• PubChem SID: 160985993
• PubChem CID: 960660

CALCULATED PROPERTIES

• Acid pKa: 12.792633
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.890113
• LogD (pH = 7.4): 1.8988199
• Log P: 1.8989338
• Molar Refractivity: 71.5835 cm^3
• Polarizability: 26.616774 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false