2-bromo-N-cyclopentylacetamide

• ChemBase ID: 16187
• Molecular Formular: C7H12BrNO
• Molecular Mass: 206.08028
• Monoisotopic Mass: 205.01022601
• SMILES: C(=O)(NC1CCCC1)CBr
• Canonical SMILES: BrCC(=O)NC1CCCC1
• InChI: InChI=1S/C7H12BrNO/c8-5-7(10)9-6-3-1-2-4-6/h6H,1-5H2,(H,9,10)
• InChIKey: KVESMOYKDNWRSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-cyclopentylacetamide
• IUPAC Traditional name: 2-bromo-N-cyclopentylacetamide
• Synonyms: 2-Bromo-N-cyclopentylacetamide

Database IDs

• MDL Number: MFCD06800047
• PubChem SID: 160979494
• PubChem CID: 10584382

CALCULATED PROPERTIES

• Acid pKa: 13.176338
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2709286
• LogD (pH = 7.4): 1.270928
• Log P: 1.2709286
• Molar Refractivity: 43.5125 cm^3
• Polarizability: 16.924093 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false