N-(3-bromophenyl)cyclopropanecarboxamide

• ChemBase ID: 311451
• Molecular Formular: C10H10BrNO
• Molecular Mass: 240.0965
• Monoisotopic Mass: 238.99457595
• SMILES: C(=O)(C1CC1)Nc1cc(Br)ccc1
• Canonical SMILES: O=C(C1CC1)Nc1cccc(c1)Br
• InChI: InChI=1S/C10H10BrNO/c11-8-2-1-3-9(6-8)12-10(13)7-4-5-7/h1-3,6-7H,4-5H2,(H,12,13)
• InChIKey: XOJAPHKOMSHQEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-bromophenyl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(3-bromophenyl)cyclopropanecarboxamide
• Synonyms: N-(3-bromophenyl)cyclopropanecarboxamide

Database IDs

• CAS Number: 14372-07-7
• MDL Number: MFCD00029065

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.759505
• LogD (pH = 7.4): 2.7595048
• Log P: 2.759505
• Molar Refractivity: 55.943 cm^3
• Polarizability: 20.965763 Å^3
• Polar Surface Area: 29.1 Å^2