2-[(furan-2-ylmethyl)amino]-N-phenylacetamide hydrochloride

• ChemBase ID: 250851
• Molecular Formular: C13H15ClN2O2
• Molecular Mass: 266.7234
• Monoisotopic Mass: 266.08220541
• SMILES: C(=O)(Nc1ccccc1)CNCc1occc1.Cl
• Canonical SMILES: O=C(Nc1ccccc1)CNCc1ccco1.Cl
• InChI: InChI=1S/C13H14N2O2.ClH/c16-13(15-11-5-2-1-3-6-11)10-14-9-12-7-4-8-17-12;/h1-8,14H,9-10H2,(H,15,16);1H
• InChIKey: ZLEWHWNHBKJLOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(furan-2-ylmethyl)amino]-N-phenylacetamide hydrochloride
• IUPAC Traditional name: 2-[(furan-2-ylmethyl)amino]-N-phenylacetamide hydrochloride
• Synonyms: 2-[(2-furylmethyl)amino]-N-phenylacetamide hydrochloride

Database IDs

• MDL Number: MFCD07689442
• PubChem SID: 164306761
• PubChem CID: 16266956

CALCULATED PROPERTIES

• Acid pKa: 13.50953
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.013286533
• LogD (pH = 7.4): 1.3630761
• Log P: 1.5041265
• Molar Refractivity: 66.0588 cm^3
• Polarizability: 25.030085 Å^3
• Polar Surface Area: 54.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 1.648

Product Information

• Purity: 95%
• Salt Data: HCl