2-chloro-N-(furan-2-ylmethyl)-N-methylacetamide

• ChemBase ID: 244802
• Molecular Formular: C8H10ClNO2
• Molecular Mass: 187.6235
• Monoisotopic Mass: 187.04000625
• SMILES: C(=O)(N(Cc1occc1)C)CCl
• Canonical SMILES: ClCC(=O)N(Cc1ccco1)C
• InChI: InChI=1S/C8H10ClNO2/c1-10(8(11)5-9)6-7-3-2-4-12-7/h2-4H,5-6H2,1H3
• InChIKey: FAGBTYDGNLOABD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(furan-2-ylmethyl)-N-methylacetamide
• IUPAC Traditional name: 2-chloro-N-(furan-2-ylmethyl)-N-methylacetamide
• Synonyms: 2-chloro-N-(2-furylmethyl)-N-methylacetamide

Database IDs

• MDL Number: MFCD06655259
• PubChem SID: 164300712
• PubChem CID: 4961809

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7391274
• LogD (pH = 7.4): 0.7391274
• Log P: 0.7391274
• Molar Refractivity: 46.016 cm^3
• Polarizability: 17.666794 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 154°C
• Hydrophobicity(logP): 0.755

Product Information

• Purity: 95%