2-chloro-N-(2-methylpropyl)-N-(propan-2-yl)acetamide

• ChemBase ID: 260609
• Molecular Formular: C9H18ClNO
• Molecular Mass: 191.69832
• Monoisotopic Mass: 191.10769188
• SMILES: N(C(=O)CCl)(CC(C)C)C(C)C
• Canonical SMILES: ClCC(=O)N(C(C)C)CC(C)C
• InChI: InChI=1S/C9H18ClNO/c1-7(2)6-11(8(3)4)9(12)5-10/h7-8H,5-6H2,1-4H3
• InChIKey: NSOZCRVCADMVSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-methylpropyl)-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-isopropyl-N-(2-methylpropyl)acetamide
• Synonyms: 2-chloro-N-(2-methylpropyl)-N-(propan-2-yl)acetamide

Database IDs

• MDL Number: MFCD12798905
• PubChem SID: 164316519
• PubChem CID: 60809013

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.9720938
• Log P: 1.9720938
• Molar Refractivity: 51.9241 cm^3
• Polarizability: 20.346403 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9720938

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.106

Product Information

• Purity: 95%