ChemSpider 2D Image | N-(2-Chlorobenzyl)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxobutanamide | C23H23ClFN3O3

N-(2-Chlorobenzyl)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxobutanamide

  • Molecular FormulaC23H23ClFN3O3
  • Average mass443.898 Da
  • Monoisotopic mass443.141205 Da
  • ChemSpider ID25364175

More details:

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

1-Piperidinebutanamide, N-[(2-chlorophenyl)methyl]-4-(6-fluoro-1,2-benzisoxazol-3-yl)-γ-oxo- [ACD/Index Name]
N-(2-Chlorbenzyl)-4-[4-(6-fluor-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxobutanamid [German] [ACD/IUPAC Name]
N-(2-Chlorobenzyl)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxobutanamide [ACD/IUPAC Name]
N-(2-Chlorobenzyl)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl]-4-oxobutanamide [French] [ACD/IUPAC Name]
1225168-13-7 [RN]
AGN-PC-09BK17
AKOS016398874
MCULE-8920203623
MolPort-019-850-587
N-(2-chlorobenzyl)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxobutanamide
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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: 705.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.2±3.0 kJ/mol
    Flash Point: 380.4±32.9 °C
    Index of Refraction: 1.604
    Molar Refractivity: 115.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.16
    ACD/LogD (pH 5.5): 3.06
    ACD/BCF (pH 5.5): 123.56
    ACD/KOC (pH 5.5): 1093.89
    ACD/LogD (pH 7.4): 3.06
    ACD/BCF (pH 7.4): 123.56
    ACD/KOC (pH 7.4): 1093.89
    Polar Surface Area: 75 Å2
    Polarizability: 45.8±0.5 10-24cm3
    Surface Tension: 54.6±3.0 dyne/cm
    Molar Volume: 335.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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