2-amino-N-(4-phenoxyphenyl)acetamide

• ChemBase ID: 123864
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(Nc1ccc(Oc2ccccc2)cc1)CN
• Canonical SMILES: NCC(=O)Nc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C14H14N2O2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10,15H2,(H,16,17)
• InChIKey: OBZCGDXSJPVRFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-phenoxyphenyl)acetamide
• IUPAC Traditional name: 2-amino-N-(4-phenoxyphenyl)acetamide
• Synonyms: 2-amino-N-(4-phenoxyphenyl)acetamide

Database IDs

• PubChem SID: 162218217
• PubChem CID: 770499

CALCULATED PROPERTIES

• Acid pKa: 13.872938
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5859456
• LogD (pH = 7.4): 1.108465
• Log P: 1.7871135
• Molar Refractivity: 70.5215 cm^3
• Polarizability: 27.061903 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true