2-bromo-N-cyclopentylpropanamide

• ChemBase ID: 307840
• Molecular Formular: C8H14BrNO
• Molecular Mass: 220.10686
• Monoisotopic Mass: 219.02587607
• SMILES: C(=O)(NC1CCCC1)C(Br)C
• Canonical SMILES: CC(C(=O)NC1CCCC1)Br
• InChI: InChI=1S/C8H14BrNO/c1-6(9)8(11)10-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,10,11)
• InChIKey: CBYZXYQNRGOWNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-cyclopentylpropanamide
• IUPAC Traditional name: 2-bromo-N-cyclopentylpropanamide
• Synonyms: 2-bromo-N-cyclopentylpropanamide

Database IDs

• CAS Number: 905810-23-3
• MDL Number: MFCD08685813

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.839693
• LogD (pH = 7.4): 1.8396924
• Log P: 1.839693
• Molar Refractivity: 48.0064 cm^3
• Polarizability: 18.72855 Å^3
• Polar Surface Area: 29.1 Å^2