N-{bicyclo[2.2.1]heptan-2-yl}-2-chloroacetamide

• ChemBase ID: 311518
• Molecular Formular: C9H14ClNO
• Molecular Mass: 187.66656
• Monoisotopic Mass: 187.07639175
• SMILES: C1(NC(=O)CCl)C2CC(C1)CC2
• Canonical SMILES: ClCC(=O)NC1CC2CC1CC2
• InChI: InChI=1S/C9H14ClNO/c10-5-9(12)11-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,11,12)
• InChIKey: ANWMKVWXYLYWNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{bicyclo[2.2.1]heptan-2-yl}-2-chloroacetamide
• IUPAC Traditional name: N-{bicyclo[2.2.1]heptan-2-yl}-2-chloroacetamide
• Synonyms: N-bicyclo[2.2.1]hept-2-yl-2-chloroacetamide

Database IDs

• CAS Number: 90797-09-4
• MDL Number: MFCD07391212

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2736994
• LogD (pH = 7.4): 1.2736988
• Log P: 1.2736994
• Molar Refractivity: 47.747 cm^3
• Polarizability: 18.912304 Å^3
• Polar Surface Area: 29.1 Å^2