2-chloro-N-(4-ethylcyclohexyl)acetamide

• ChemBase ID: 312640
• Molecular Formular: C10H18ClNO
• Molecular Mass: 203.70902
• Monoisotopic Mass: 203.10769188
• SMILES: C(=O)(NC1CCC(CC1)CC)CCl
• Canonical SMILES: CCC1CCC(CC1)NC(=O)CCl
• InChI: InChI=1S/C10H18ClNO/c1-2-8-3-5-9(6-4-8)12-10(13)7-11/h8-9H,2-7H2,1H3,(H,12,13)
• InChIKey: IHYLVBSEACZOPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-ethylcyclohexyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-ethylcyclohexyl)acetamide
• Synonyms: 2-chloro-N-(4-ethylcyclohexyl)acetamide

Database IDs

• CAS Number: 915924-28-6
• MDL Number: MFCD08691987

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2615898
• LogD (pH = 7.4): 2.2615895
• Log P: 2.2615898
• Molar Refractivity: 54.2796 cm^3
• Polarizability: 21.462008 Å^3
• Polar Surface Area: 29.1 Å^2