phenyl N-(2-acetylphenyl)carbamate

• ChemBase ID: 254051
• Molecular Formular: C15H13NO3
• Molecular Mass: 255.26862
• Monoisotopic Mass: 255.08954328
• SMILES: C(=O)(Nc1c(C(=O)C)cccc1)Oc1ccccc1
• Canonical SMILES: O=C(Nc1ccccc1C(=O)C)Oc1ccccc1
• InChI: InChI=1S/C15H13NO3/c1-11(17)13-9-5-6-10-14(13)16-15(18)19-12-7-3-2-4-8-12/h2-10H,1H3,(H,16,18)
• InChIKey: DQCVLICVKSKZJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl N-(2-acetylphenyl)carbamate
• IUPAC Traditional name: phenyl N-(2-acetylphenyl)carbamate
• Synonyms: phenyl 2-acetylphenylcarbamate

Database IDs

• MDL Number: MFCD09413158
• PubChem SID: 164309961
• PubChem CID: 17490799

CALCULATED PROPERTIES

• Acid pKa: 12.207023
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0458531
• LogD (pH = 7.4): 3.045847
• Log P: 3.0458534
• Molar Refractivity: 72.725 cm^3
• Polarizability: 27.36366 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.521

Product Information

• Purity: 95%