2-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide

• ChemBase ID: 260676
• Molecular Formular: C11H14ClNO2
• Molecular Mass: 227.68736
• Monoisotopic Mass: 227.07130637
• SMILES: N(C1CC1)(C(=O)CCl)Cc1oc(cc1)C
• Canonical SMILES: ClCC(=O)N(C1CC1)Cc1ccc(o1)C
• InChI: InChI=1S/C11H14ClNO2/c1-8-2-5-10(15-8)7-13(9-3-4-9)11(14)6-12/h2,5,9H,3-4,6-7H2,1H3
• InChIKey: ASXJPMQQJAGXOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
• Synonyms: 2-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide

Database IDs

• MDL Number: MFCD12798931
• PubChem SID: 164316586
• PubChem CID: 50987727

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4042532
• LogD (pH = 7.4): 1.4042532
• Log P: 1.4042532
• Molar Refractivity: 58.3769 cm^3
• Polarizability: 22.361809 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.608

Product Information

• Purity: 95%