5-chloro-N,N-dimethylpentanamide

• ChemBase ID: 271014
• Molecular Formular: C7H14ClNO
• Molecular Mass: 163.64516
• Monoisotopic Mass: 163.07639175
• SMILES: C(=O)(N(C)C)CCCCCl
• Canonical SMILES: ClCCCCC(=O)N(C)C
• InChI: InChI=1S/C7H14ClNO/c1-9(2)7(10)5-3-4-6-8/h3-6H2,1-2H3
• InChIKey: OVBGEQMZKGFWPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N,N-dimethylpentanamide
• IUPAC Traditional name: 5-chloro-N,N-dimethylpentanamide
• Synonyms: 5-chloro-N,N-dimethylpentanamide

Database IDs

• MDL Number: MFCD11192827
• PubChem SID: 164326924
• PubChem CID: 11252183

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.92464936
• LogD (pH = 7.4): 0.9246502
• Log P: 0.9246502
• Molar Refractivity: 43.0679 cm^3
• Polarizability: 16.677185 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.498

Product Information

• Purity: 95%