N-benzyl-2-bromoacetamide

• ChemBase ID: 307802
• Molecular Formular: C9H10BrNO
• Molecular Mass: 228.0858
• Monoisotopic Mass: 226.99457595
• SMILES: C(=O)(NCc1ccccc1)CBr
• Canonical SMILES: BrCC(=O)NCc1ccccc1
• InChI: InChI=1S/C9H10BrNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
• InChIKey: SXCURSCBIMAPDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-bromoacetamide
• IUPAC Traditional name: N-benzyl-2-bromoacetamide
• Synonyms: N-benzyl-2-bromoacetamide

Database IDs

• CAS Number: 2945-03-1
• MDL Number: MFCD00726815

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6406999
• LogD (pH = 7.4): 1.640699
• Log P: 1.6407
• Molar Refractivity: 51.7119 cm^3
• Polarizability: 19.771803 Å^3
• Polar Surface Area: 29.1 Å^2