3-bromo-N-(4-phenylbutyl)benzamide

• ChemBase ID: 310747
• Molecular Formular: C17H18BrNO
• Molecular Mass: 332.23492
• Monoisotopic Mass: 331.0571762
• SMILES: C(=O)(c1cc(Br)ccc1)NCCCCc1ccccc1
• Canonical SMILES: Brc1cccc(c1)C(=O)NCCCCc1ccccc1
• InChI: InChI=1S/C17H18BrNO/c18-16-11-6-10-15(13-16)17(20)19-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H,19,20)
• InChIKey: CMRFUBZKCBYNRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-N-(4-phenylbutyl)benzamide
• IUPAC Traditional name: 3-bromo-N-(4-phenylbutyl)benzamide
• Synonyms: 3-bromo-N-(4-phenylbutyl)benzamide

Database IDs

• CAS Number: 333396-16-0
• MDL Number: MFCD00810017

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7185864
• LogD (pH = 7.4): 4.7185864
• Log P: 4.7185864
• Molar Refractivity: 86.2255 cm^3
• Polarizability: 32.72996 Å^3
• Polar Surface Area: 29.1 Å^2