ChemSpider 2D Image | N-[3-(4-Fluorobenzyl)-1H-1,2,4-triazol-5-yl]-1-isobutyl-5-oxo-3-pyrrolidinecarboxamide | C18H22FN5O2

N-[3-(4-Fluorobenzyl)-1H-1,2,4-triazol-5-yl]-1-isobutyl-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC18H22FN5O2
  • Average mass359.398 Da
  • Monoisotopic mass359.175751 Da
  • ChemSpider ID29345730

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyrrolidinecarboxamide, N-[3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl]-1-(2-methylpropyl)-5-oxo- [ACD/Index Name]
N-[3-(4-Fluorbenzyl)-1H-1,2,4-triazol-5-yl]-1-isobutyl-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-[3-(4-Fluorobenzyl)-1H-1,2,4-triazol-5-yl]-1-isobutyl-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-[3-(4-Fluorobenzyl)-1H-1,2,4-triazol-5-yl]-1-isobutyl-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1574408-62-0 [RN]
N-[3-(4-fluorobenzyl)-1H-1,2,4-triazol-5-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.604
    Molar Refractivity: 94.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.42
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 10.28
    ACD/KOC (pH 5.5): 184.45
    ACD/LogD (pH 7.4): 1.63
    ACD/BCF (pH 7.4): 10.28
    ACD/KOC (pH 7.4): 184.50
    Polar Surface Area: 91 Å2
    Polarizability: 37.4±0.5 10-24cm3
    Surface Tension: 61.4±3.0 dyne/cm
    Molar Volume: 274.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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