N-({1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl}methyl)-2-hydroxyacetamide

• ChemBase ID: 673114
• Molecular Formular: C14H19FN2O2
• Molecular Mass: 266.3112632
• Monoisotopic Mass: 266.14305608
• SMILES: N1(Cc2c(F)cccc2)CC(CNC(=O)CO)CC1
• Canonical SMILES: OCC(=O)NCC1CCN(C1)Cc1ccccc1F
• InChI: InChI=1S/C14H19FN2O2/c15-13-4-2-1-3-12(13)9-17-6-5-11(8-17)7-16-14(19)10-18/h1-4,11,18H,5-10H2,(H,16,19)
• InChIKey: YNFLXMFYIDZDMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl}methyl)-2-hydroxyacetamide
• IUPAC Traditional name: N-({1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl}methyl)-2-hydroxyacetamide
• Synonyms: N-{[1-(2-fluorobenzyl)pyrrolidin-3-yl]methyl}-2-hydroxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.594429
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2908742
• LogD (pH = 7.4): -0.51687104
• Log P: 0.32770967
• Molar Refractivity: 71.4631 cm^3
• Polarizability: 27.365313 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.54
• LOG S: -1.6
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5