2-chloro-N-cyclopropyl-N-methylacetamide

• ChemBase ID: 263556
• Molecular Formular: C6H10ClNO
• Molecular Mass: 147.6027
• Monoisotopic Mass: 147.04509163
• SMILES: C1(N(C(=O)CCl)C)CC1
• Canonical SMILES: ClCC(=O)N(C1CC1)C
• InChI: InChI=1S/C6H10ClNO/c1-8(5-2-3-5)6(9)4-7/h5H,2-4H2,1H3
• InChIKey: ANZVRBHYIYMRMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopropyl-N-methylacetamide
• IUPAC Traditional name: 2-chloro-N-cyclopropyl-N-methylacetamide
• Synonyms: 2-chloro-N-cyclopropyl-N-methylacetamide

Database IDs

• MDL Number: MFCD11623968
• PubChem SID: 164319466
• PubChem CID: 23087257

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.41997215
• LogD (pH = 7.4): 0.41997215
• Log P: 0.41997215
• Molar Refractivity: 36.2237 cm^3
• Polarizability: 14.141739 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.395

Product Information

• Purity: 95%