N-(2-fluorophenyl)-2-{[(2-fluorophenyl)methyl]amino}acetamide hydrochloride

• ChemBase ID: 260180
• Molecular Formular: C15H15ClF2N2O
• Molecular Mass: 312.7422064
• Monoisotopic Mass: 312.08409723
• SMILES: N(c1c(F)cccc1)C(=O)CNCc1c(F)cccc1.Cl
• Canonical SMILES: O=C(Nc1ccccc1F)CNCc1ccccc1F.Cl
• InChI: InChI=1S/C15H14F2N2O.ClH/c16-12-6-2-1-5-11(12)9-18-10-15(20)19-14-8-4-3-7-13(14)17;/h1-8,18H,9-10H2,(H,19,20);1H
• InChIKey: FSKDHENYUSNSBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-2-{[(2-fluorophenyl)methyl]amino}acetamide hydrochloride
• IUPAC Traditional name: N-(2-fluorophenyl)-2-{[(2-fluorophenyl)methyl]amino}acetamide hydrochloride
• Synonyms: N-(2-fluorophenyl)-2-{[(2-fluorophenyl)methyl]amino}acetamide hydrochloride

Database IDs

• MDL Number: MFCD12197139
• PubChem SID: 164316090
• PubChem CID: 45791515

CALCULATED PROPERTIES

• Acid pKa: 11.557078
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.799764
• LogD (pH = 7.4): 2.4047103
• Log P: 2.7292838
• Molar Refractivity: 74.1007 cm^3
• Polarizability: 27.509106 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 232 - 234°C
• Hydrophobicity(logP): 2.416

Product Information

• Purity: 95%