3-bromo-N-cyclopropylbenzamide

• ChemBase ID: 311917
• Molecular Formular: C10H10BrNO
• Molecular Mass: 240.0965
• Monoisotopic Mass: 238.99457595
• SMILES: C(=O)(NC1CC1)c1cc(Br)ccc1
• Canonical SMILES: Brc1cccc(c1)C(=O)NC1CC1
• InChI: InChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5H2,(H,12,13)
• InChIKey: TZOROVSHSRTGHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-N-cyclopropylbenzamide
• IUPAC Traditional name: 3-bromo-N-cyclopropylbenzamide
• Synonyms: 3-bromo-N-cyclopropylbenzamide

Database IDs

• CAS Number: 337535-74-7
• MDL Number: MFCD03387330

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2818792
• LogD (pH = 7.4): 2.2818794
• Log P: 2.2818794
• Molar Refractivity: 54.8671 cm^3
• Polarizability: 20.775963 Å^3
• Polar Surface Area: 29.1 Å^2