ChemSpider 2D Image | N-[3-Fluoro-4-(methylcarbamoyl)phenyl]-2-methylalanine | C12H15FN2O3

N-[3-Fluoro-4-(methylcarbamoyl)phenyl]-2-methylalanine

  • Molecular FormulaC12H15FN2O3
  • Average mass254.258 Da
  • Monoisotopic mass254.106674 Da
  • ChemSpider ID29272345

More details:

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

1289942-66-0 [RN]
2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid
Alanine, N-[3-fluoro-4-[(methylamino)carbonyl]phenyl]-2-methyl- [ACD/Index Name]
N-[3-Fluor-4-(methylcarbamoyl)phenyl]-2-methylalanin [German] [ACD/IUPAC Name]
N-[3-Fluoro-4-(methylcarbamoyl)phenyl]-2-methylalanine [ACD/IUPAC Name]
N-[3-Fluoro-4-(méthylcarbamoyl)phényl]-2-méthylalanine [French] [ACD/IUPAC Name]
[1289942-66-0] [RN]
2-((3-fluoro-4-(methylcarbamoyl)phenyl)-amino)-2-methylpropanoic acid
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid??????????????????
2-(3-Fluoro-4-methylcarbamoyl-phenylamino)-2-methyl-propionic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 455.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 229.0±28.7 °C
    Index of Refraction: 1.571
    Molar Refractivity: 64.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.46
    ACD/LogD (pH 5.5): -0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.13
    ACD/LogD (pH 7.4): -2.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 197.6±3.0 cm3

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