ChemSpider 2D Image | Methyl N-{5-fluoro-2-[(1-pyrrolidinylcarbonyl)amino]benzoyl}-beta-alaninate | C16H20FN3O4

Methyl N-{5-fluoro-2-[(1-pyrrolidinylcarbonyl)amino]benzoyl}-β-alaninate

  • Molecular FormulaC16H20FN3O4
  • Average mass337.346 Da
  • Monoisotopic mass337.143799 Da
  • ChemSpider ID27321860

More details:

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

Methyl N-{5-fluoro-2-[(1-pyrrolidinylcarbonyl)amino]benzoyl}-β-alaninate [ACD/IUPAC Name]
Methyl-N-{5-fluor-2-[(1-pyrrolidinylcarbonyl)amino]benzoyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{5-Fluoro-2-[(1-pyrrolidinylcarbonyl)amino]benzoyl}-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[5-fluoro-2-[(1-pyrrolidinylcarbonyl)amino]benzoyl]-, methyl ester [ACD/Index Name]
1246068-93-8 [RN]
3-{5-Fluoro-2-[(pyrrolidine-1-carbonyl)-amino]-benzoylamino}-propionic acid methyl ester
AGN-PC-08YLIX
AKOS005752921
MCULE-2179317484
METHYL 3-({5-FLUORO-2-[(PYRROLIDINE-1-CARBONYL)AMINO]PHENYL}FORMAMIDO)PROPANOATE
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 545.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±3.0 kJ/mol
    Flash Point: 283.5±30.1 °C
    Index of Refraction: 1.579
    Molar Refractivity: 85.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.78
    ACD/LogD (pH 5.5): 1.54
    ACD/BCF (pH 5.5): 8.69
    ACD/KOC (pH 5.5): 163.54
    ACD/LogD (pH 7.4): 1.54
    ACD/BCF (pH 7.4): 8.68
    ACD/KOC (pH 7.4): 163.37
    Polar Surface Area: 88 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 55.7±3.0 dyne/cm
    Molar Volume: 255.9±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement