3-chloro-N-cyclooctylpropanamide

• ChemBase ID: 311929
• Molecular Formular: C11H20ClNO
• Molecular Mass: 217.7356
• Monoisotopic Mass: 217.12334195
• SMILES: C(=O)(NC1CCCCCCC1)CCCl
• Canonical SMILES: ClCCC(=O)NC1CCCCCCC1
• InChI: InChI=1S/C11H20ClNO/c12-9-8-11(14)13-10-6-4-2-1-3-5-7-10/h10H,1-9H2,(H,13,14)
• InChIKey: IFVKIERAKKRNNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-cyclooctylpropanamide
• IUPAC Traditional name: 3-chloro-N-cyclooctylpropanamide
• Synonyms: 3-chloro-N-cyclooctylpropanamide

Database IDs

• CAS Number: 543711-67-7
• MDL Number: MFCD03375171

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.656152
• LogD (pH = 7.4): 2.656152
• Log P: 2.6561522
• Molar Refractivity: 59.0314 cm^3
• Polarizability: 23.29521 Å^3
• Polar Surface Area: 29.1 Å^2