2-chloro-N,N-diethylpropanamide

• ChemBase ID: 253896
• Molecular Formular: C7H14ClNO
• Molecular Mass: 163.64516
• Monoisotopic Mass: 163.07639175
• SMILES: C(=O)(N(CC)CC)C(Cl)C
• Canonical SMILES: CCN(C(=O)C(Cl)C)CC
• InChI: InChI=1S/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3
• InChIKey: WORKHWHULFDZDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-diethylpropanamide
• IUPAC Traditional name: 2-chloro-N,N-diethylpropanamide
• Synonyms: 2-chloro-N,N-diethylpropanamide

Database IDs

• MDL Number: MFCD00066184
• PubChem SID: 164309806
• PubChem CID: 41046

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2367878
• LogD (pH = 7.4): 1.2367878
• Log P: 1.2367878
• Molar Refractivity: 43.0036 cm^3
• Polarizability: 16.680828 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.398

Product Information

• Purity: 95%