3-chloro-N-ethyl-2,2-dimethylpropanamide

• ChemBase ID: 308235
• Molecular Formular: C7H14ClNO
• Molecular Mass: 163.64516
• Monoisotopic Mass: 163.07639175
• SMILES: C(C(=O)NCC)(CCl)(C)C
• Canonical SMILES: CCNC(=O)C(CCl)(C)C
• InChI: InChI=1S/C7H14ClNO/c1-4-9-6(10)7(2,3)5-8/h4-5H2,1-3H3,(H,9,10)
• InChIKey: HADFGWNWLZMHCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-ethyl-2,2-dimethylpropanamide
• IUPAC Traditional name: 3-chloro-N-ethyl-2,2-dimethylpropanamide
• Synonyms: 3-chloro-N-ethyl-2,2-dimethylpropanamide

Database IDs

• CAS Number: 1060817-21-1
• MDL Number: MFCD11053935

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4235528
• LogD (pH = 7.4): 1.4235528
• Log P: 1.4235529
• Molar Refractivity: 42.6393 cm^3
• Polarizability: 16.677486 Å^3
• Polar Surface Area: 29.1 Å^2