2-chloro-N-cyclooctylacetamide

• ChemBase ID: 27085
• Molecular Formular: C10H18ClNO
• Molecular Mass: 203.70902
• Monoisotopic Mass: 203.10769188
• SMILES: C(=O)(NC1CCCCCCC1)CCl
• Canonical SMILES: ClCC(=O)NC1CCCCCCC1
• InChI: InChI=1S/C10H18ClNO/c11-8-10(13)12-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H,12,13)
• InChIKey: CIBJQCMYTNHWPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclooctylacetamide
• IUPAC Traditional name: 2-chloro-N-cyclooctylacetamide
• Synonyms: 2-Chloro-N-cyclooctylacetamide

Database IDs

• CAS Number: 379255-43-3
• MDL Number: MFCD00751399
• PubChem SID: 160990392
• PubChem CID: 4677637

CALCULATED PROPERTIES

• Acid pKa: 13.4829645
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4191394
• LogD (pH = 7.4): 2.4191391
• Log P: 2.4191394
• Molar Refractivity: 54.332 cm^3
• Polarizability: 21.462008 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