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

• ChemBase ID: 310746
• Molecular Formular: C17H18BrNO
• Molecular Mass: 332.23492
• Monoisotopic Mass: 331.0571762
• SMILES: c1(C(=O)NCCCCc2ccccc2)c(Br)cccc1
• Canonical SMILES: O=C(c1ccccc1Br)NCCCCc1ccccc1
• InChI: InChI=1S/C17H18BrNO/c18-16-12-5-4-11-15(16)17(20)19-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,19,20)
• InChIKey: DNSIBOVUTNLCHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(4-phenylbutyl)benzamide
• IUPAC Traditional name: 2-bromo-N-(4-phenylbutyl)benzamide
• Synonyms: 2-bromo-N-(4-phenylbutyl)benzamide

Database IDs

• CAS Number: 332408-69-2
• MDL Number: MFCD00779778

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7185864
• LogD (pH = 7.4): 4.718586
• Log P: 4.7185864
• Molar Refractivity: 86.2255 cm^3
• Polarizability: 32.732864 Å^3
• Polar Surface Area: 29.1 Å^2