2-chloro-N-cyclopropyl-N-(2-methylpropyl)acetamide

• ChemBase ID: 260581
• Molecular Formular: C9H16ClNO
• Molecular Mass: 189.68244
• Monoisotopic Mass: 189.09204182
• SMILES: N(C1CC1)(C(=O)CCl)CC(C)C
• Canonical SMILES: ClCC(=O)N(C1CC1)CC(C)C
• InChI: InChI=1S/C9H16ClNO/c1-7(2)6-11(8-3-4-8)9(12)5-10/h7-8H,3-6H2,1-2H3
• InChIKey: OMTVSBIQZKYGHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopropyl-N-(2-methylpropyl)acetamide
• IUPAC Traditional name: 2-chloro-N-cyclopropyl-N-(2-methylpropyl)acetamide
• Synonyms: 2-chloro-N-cyclopropyl-N-(2-methylpropyl)acetamide

Database IDs

• MDL Number: MFCD12762665
• PubChem SID: 164316491
• PubChem CID: 54592469

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6642753
• LogD (pH = 7.4): 1.6642753
• Log P: 1.6642753
• Molar Refractivity: 49.9679 cm^3
• Polarizability: 19.627949 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.622

Product Information

• Purity: 95%