N-(2-bromophenyl)cyclopropanecarboxamide

• ChemBase ID: 311707
• Molecular Formular: C10H10BrNO
• Molecular Mass: 240.0965
• Monoisotopic Mass: 238.99457595
• SMILES: C(=O)(Nc1c(Br)cccc1)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccccc1Br
• InChI: InChI=1S/C10H10BrNO/c11-8-3-1-2-4-9(8)12-10(13)7-5-6-7/h1-4,7H,5-6H2,(H,12,13)
• InChIKey: BUGVBYSRBPRCSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 444151-72-8
• MDL Number: MFCD02602205

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.759505
• LogD (pH = 7.4): 2.7595036
• Log P: 2.759505
• Molar Refractivity: 55.943 cm^3
• Polarizability: 20.970205 Å^3
• Polar Surface Area: 29.1 Å^2