2-chloro-N-cyclopropyl-N-(3-methylbutan-2-yl)acetamide

• ChemBase ID: 260583
• Molecular Formular: C10H18ClNO
• Molecular Mass: 203.70902
• Monoisotopic Mass: 203.10769188
• SMILES: N(C1CC1)(C(=O)CCl)C(C(C)C)C
• Canonical SMILES: ClCC(=O)N(C(C(C)C)C)C1CC1
• InChI: InChI=1S/C10H18ClNO/c1-7(2)8(3)12(9-4-5-9)10(13)6-11/h7-9H,4-6H2,1-3H3
• InChIKey: OOEMRNHPYOXAIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopropyl-N-(3-methylbutan-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-cyclopropyl-N-(3-methylbutan-2-yl)acetamide
• Synonyms: 2-chloro-N-cyclopropyl-N-(3-methylbutan-2-yl)acetamide

Database IDs

• PubChem SID: 164316493
• PubChem CID: 71758715

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0808504
• LogD (pH = 7.4): 2.0808504
• Log P: 2.0808504
• Molar Refractivity: 54.3867 cm^3
• Polarizability: 21.46201 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.931

Product Information

• Purity: 95%