4-(phenylcarbamoyl)phenyl acetate

• ChemBase ID: 248088
• Molecular Formular: C15H13NO3
• Molecular Mass: 255.26862
• Monoisotopic Mass: 255.08954328
• SMILES: C(=O)(Nc1ccccc1)c1ccc(OC(=O)C)cc1
• Canonical SMILES: CC(=O)Oc1ccc(cc1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C15H13NO3/c1-11(17)19-14-9-7-12(8-10-14)15(18)16-13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18)
• InChIKey: BXRAHTJIZIRXQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(phenylcarbamoyl)phenyl acetate
• IUPAC Traditional name: 4-(phenylcarbamoyl)phenyl acetate
• Synonyms: 4-(phenylcarbamoyl)phenyl acetate

Database IDs

• PubChem SID: 164303998
• PubChem CID: 3358378

CALCULATED PROPERTIES

• Acid pKa: 12.196059
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6723914
• LogD (pH = 7.4): 2.672385
• Log P: 2.6723917
• Molar Refractivity: 72.7239 cm^3
• Polarizability: 27.360203 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 2.281

Product Information

• Purity: 95%