N-(2-bromophenyl)butanamide

• ChemBase ID: 311115
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: N(c1c(Br)cccc1)C(=O)CCC
• Canonical SMILES: CCCC(=O)Nc1ccccc1Br
• InChI: InChI=1S/C10H12BrNO/c1-2-5-10(13)12-9-7-4-3-6-8(9)11/h3-4,6-7H,2,5H2,1H3,(H,12,13)
• InChIKey: MZTDZSQKBXRTNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 443122-64-3
• MDL Number: MFCD00462544

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1248133
• LogD (pH = 7.4): 3.1248121
• Log P: 3.1248133
• Molar Refractivity: 57.7717 cm^3
• Polarizability: 21.672268 Å^3
• Polar Surface Area: 29.1 Å^2