N-benzyl-2-chloro-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 250423
• Molecular Formular: C14H14ClNO2
• Molecular Mass: 263.71946
• Monoisotopic Mass: 263.07130637
• SMILES: N(C(=O)CCl)(Cc1occc1)Cc1ccccc1
• Canonical SMILES: ClCC(=O)N(Cc1ccco1)Cc1ccccc1
• InChI: InChI=1S/C14H14ClNO2/c15-9-14(17)16(11-13-7-4-8-18-13)10-12-5-2-1-3-6-12/h1-8H,9-11H2
• InChIKey: ZXUJFKOISSOAHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07348602
• PubChem SID: 164306333
• PubChem CID: 7131064

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4636004
• LogD (pH = 7.4): 2.4636004
• Log P: 2.4636004
• Molar Refractivity: 70.6286 cm^3
• Polarizability: 27.18696 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 216 - 218°C
• Hydrophobicity(logP): 2.423

Product Information

• Purity: 95%