N-(2-bromophenyl)propanamide

• ChemBase ID: 311113
• Molecular Formular: C9H10BrNO
• Molecular Mass: 228.0858
• Monoisotopic Mass: 226.99457595
• SMILES: N(c1c(Br)cccc1)C(=O)CC
• Canonical SMILES: CCC(=O)Nc1ccccc1Br
• InChI: InChI=1S/C9H10BrNO/c1-2-9(12)11-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H,11,12)
• InChIKey: GCLTULYRNJFGNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-bromophenyl)propanamide
• IUPAC Traditional name: N-(2-bromophenyl)propanamide
• Synonyms: N-(2-bromophenyl)propanamide

Database IDs

• CAS Number: 60751-73-7
• MDL Number: MFCD00791243

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6802447
• LogD (pH = 7.4): 2.6802435
• Log P: 2.6802447
• Molar Refractivity: 53.1707 cm^3
• Polarizability: 19.855055 Å^3
• Polar Surface Area: 29.1 Å^2