ethyl N-(2-chlorophenyl)-N-phenylcarbamate

• ChemBase ID: 112401
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: CCOC(=O)N(c1ccccc1)c1ccccc1Cl
• Canonical SMILES: CCOC(=O)N(c1ccccc1Cl)c1ccccc1
• InChI: InChI=1S/C15H14ClNO2/c1-2-19-15(18)17(12-8-4-3-5-9-12)14-11-7-6-10-13(14)16/h3-11H,2H2,1H3
• InChIKey: FVQZYUITQNNJHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(2-chlorophenyl)-N-phenylcarbamate
• IUPAC Traditional name: ethyl N-(2-chlorophenyl)-N-phenylcarbamate
• Synonyms: 2-CHLOROPHENYL PHENYL URETHANE

Database IDs

• PubChem SID: 162106669
• PubChem CID: 25021419

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3131247
• LogD (pH = 7.4): 4.3131247
• Log P: 4.3131247
• Molar Refractivity: 74.9915 cm^3
• Polarizability: 29.193583 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223750

MP Biomedicals Rare Chemical collection