2-bromo-N-cyclopropyl-2-(4-fluorophenyl)acetamide

• ChemBase ID: 252794
• Molecular Formular: C11H11BrFNO
• Molecular Mass: 272.1135432
• Monoisotopic Mass: 271.0008042
• SMILES: C(=O)(NC1CC1)C(c1ccc(cc1)F)Br
• Canonical SMILES: BrC(c1ccc(cc1)F)C(=O)NC1CC1
• InChI: InChI=1S/C11H11BrFNO/c12-10(11(15)14-9-5-6-9)7-1-3-8(13)4-2-7/h1-4,9-10H,5-6H2,(H,14,15)
• InChIKey: NNVQPUIQEPLXIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-cyclopropyl-2-(4-fluorophenyl)acetamide
• IUPAC Traditional name: 2-bromo-N-cyclopropyl-2-(4-fluorophenyl)acetamide
• Synonyms: 2-bromo-N-cyclopropyl-2-(4-fluorophenyl)acetamide

Database IDs

• MDL Number: MFCD08691147
• PubChem SID: 164308704
• PubChem CID: 16227430

CALCULATED PROPERTIES

• Acid pKa: 12.058137
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4609225
• LogD (pH = 7.4): 2.4609141
• Log P: 2.4609227
• Molar Refractivity: 58.8848 cm^3
• Polarizability: 22.521992 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.22

Product Information

• Purity: 95%