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

• ChemBase ID: 251699
• Molecular Formular: C13H12ClNO2
• Molecular Mass: 249.69288
• Monoisotopic Mass: 249.05565631
• SMILES: N(C(=O)CCl)(Cc1occc1)c1ccccc1
• Canonical SMILES: ClCC(=O)N(c1ccccc1)Cc1ccco1
• InChI: InChI=1S/C13H12ClNO2/c14-9-13(16)15(10-12-7-4-8-17-12)11-5-2-1-3-6-11/h1-8H,9-10H2
• InChIKey: BKRYXWOXOXWQPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07838457
• PubChem SID: 164307609
• PubChem CID: 7131837

CALCULATED PROPERTIES

• Acid pKa: 16.744194
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.397086
• LogD (pH = 7.4): 2.397086
• Log P: 2.397086
• Molar Refractivity: 65.7936 cm^3
• Polarizability: 25.34149 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.664

Product Information

• Purity: 95%