2-bromo-N-(2-phenylethyl)acetamide

• ChemBase ID: 307795
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: C(=O)(NCCc1ccccc1)CBr
• Canonical SMILES: BrCC(=O)NCCc1ccccc1
• InChI: InChI=1S/C10H12BrNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
• InChIKey: NIFSTJXZBDBHDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(2-phenylethyl)acetamide
• IUPAC Traditional name: 2-bromo-N-(2-phenylethyl)acetamide
• Synonyms: 2-bromo-N-(2-phenylethyl)acetamide

Database IDs

• CAS Number: 64297-92-3
• MDL Number: MFCD06800319

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9293611
• LogD (pH = 7.4): 1.9293607
• Log P: 1.9293611
• Molar Refractivity: 56.4669 cm^3
• Polarizability: 21.590063 Å^3
• Polar Surface Area: 29.1 Å^2