N-(2-bromophenyl)-3,3-diphenylpropanamide

• ChemBase ID: 311448
• Molecular Formular: C21H18BrNO
• Molecular Mass: 380.27772
• Monoisotopic Mass: 379.0571762
• SMILES: C(=O)(Nc1c(Br)cccc1)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(Nc1ccccc1Br)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H18BrNO/c22-19-13-7-8-14-20(19)23-21(24)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24)
• InChIKey: ZGKPMMRKLGJYCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-bromophenyl)-3,3-diphenylpropanamide
• IUPAC Traditional name: N-(2-bromophenyl)-3,3-diphenylpropanamide
• Synonyms: N-(2-bromophenyl)-3,3-diphenylpropanamide

Database IDs

• CAS Number: 349439-57-2
• MDL Number: MFCD01358792

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.6794405
• LogD (pH = 7.4): 5.679439
• Log P: 5.6794405
• Molar Refractivity: 102.5103 cm^3
• Polarizability: 38.892944 Å^3
• Polar Surface Area: 29.1 Å^2