N-[1-(4-bromophenyl)ethyl]acetamide

• ChemBase ID: 311106
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: N(C(=O)C)C(c1ccc(cc1)Br)C
• Canonical SMILES: CC(c1ccc(cc1)Br)NC(=O)C
• InChI: InChI=1S/C10H12BrNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-7H,1-2H3,(H,12,13)
• InChIKey: DRRCKKJEBGEBGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-bromophenyl)ethyl]acetamide
• IUPAC Traditional name: N-[1-(4-bromophenyl)ethyl]acetamide
• Synonyms: N-[1-(4-bromophenyl)ethyl]acetamide

Database IDs

• CAS Number: 92520-16-6
• MDL Number: MFCD01123268

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1031885
• LogD (pH = 7.4): 2.1031885
• Log P: 2.1031885
• Molar Refractivity: 56.0168 cm^3
• Polarizability: 21.675207 Å^3
• Polar Surface Area: 29.1 Å^2