N-[3-(4-aminophenoxy)phenyl]acetamide

• ChemBase ID: 20138
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(Nc1cc(Oc2ccc(N)cc2)ccc1)C
• Canonical SMILES: CC(=O)Nc1cccc(c1)Oc1ccc(cc1)N
• InChI: InChI=1S/C14H14N2O2/c1-10(17)16-12-3-2-4-14(9-12)18-13-7-5-11(15)6-8-13/h2-9H,15H2,1H3,(H,16,17)
• InChIKey: OLXMEIJWSTVOJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-aminophenoxy)phenyl]acetamide
• IUPAC Traditional name: N-[3-(4-aminophenoxy)phenyl]acetamide
• Synonyms: N-[3-(4-Aminophenoxy)phenyl]acetamide

Database IDs

• MDL Number: MFCD02663391
• PubChem SID: 160983445
• PubChem CID: 19845136

CALCULATED PROPERTIES

• Acid pKa: 13.915489
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8567773
• LogD (pH = 7.4): 1.8819861
• Log P: 1.8823174
• Molar Refractivity: 71.8622 cm^3
• Polarizability: 26.672369 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false