2-chloro-N-[1-(furan-2-yl)ethyl]acetamide

• ChemBase ID: 251687
• Molecular Formular: C8H10ClNO2
• Molecular Mass: 187.6235
• Monoisotopic Mass: 187.04000625
• SMILES: c1(occc1)C(NC(=O)CCl)C
• Canonical SMILES: ClCC(=O)NC(c1ccco1)C
• InChI: InChI=1S/C8H10ClNO2/c1-6(10-8(11)5-9)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)
• InChIKey: YYZFRJQVAFEVHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[1-(furan-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[1-(furan-2-yl)ethyl]acetamide
• Synonyms: 2-chloro-N-[1-(2-furyl)ethyl]acetamide

Database IDs

• MDL Number: MFCD08444152
• PubChem SID: 164307597
• PubChem CID: 16226955

CALCULATED PROPERTIES

• Acid pKa: 10.172738
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.93201816
• LogD (pH = 7.4): 0.93137765
• Log P: 0.9320263
• Molar Refractivity: 45.5381 cm^3
• Polarizability: 17.666496 Å^3
• Polar Surface Area: 42.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 65°C
• Hydrophobicity(logP): 1.048

Product Information

• Purity: 95%