ChemSpider 2D Image | (Z)-N-(1-Chloro-1-(2-cyanophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl)benzamide | C22H20ClN3O2

(Z)-N-(1-Chloro-1-(2-cyanophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl)benzamide

  • Molecular FormulaC22H20ClN3O2
  • Average mass393.866 Da
  • Monoisotopic mass393.124420 Da
  • ChemSpider ID44253313

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-N-(1-Chloro-1-(2-cyanophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl)benzamide
1800044-75-0 [RN]
Benzamide, N-[(Z)-2-chloro-2-(2-cyanophenyl)-1-(1-piperidinylcarbonyl)ethenyl]- [ACD/Index Name]
N-[(1Z)-1-Chlor-1-(2-cyanphenyl)-3-oxo-3-(1-piperidinyl)-1-propen-2-yl]benzamid [German] [ACD/IUPAC Name]
N-[(1Z)-1-Chloro-1-(2-cyanophenyl)-3-oxo-3-(1-piperidinyl)-1-propen-2-yl]benzamide [ACD/IUPAC Name]
N-[(1Z)-1-Chloro-1-(2-cyanophényl)-3-oxo-3-(1-pipéridinyl)-1-propén-2-yl]benzamide [French] [ACD/IUPAC Name]
DS-8222
MFCD29037400
N-[(1Z)-1-CHLORO-1-(2-CYANOPHENYL)-3-OXO-3-(PIPERIDIN-1-YL)PROP-1-EN-2-YL]BENZAMIDE

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 662.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.5±3.0 kJ/mol
    Flash Point: 354.6±31.5 °C
    Index of Refraction: 1.637
    Molar Refractivity: 107.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.59
    ACD/LogD (pH 5.5): 3.09
    ACD/BCF (pH 5.5): 131.30
    ACD/KOC (pH 5.5): 1142.38
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 126.28
    ACD/KOC (pH 7.4): 1098.70
    Polar Surface Area: 73 Å2
    Polarizability: 42.7±0.5 10-24cm3
    Surface Tension: 61.5±5.0 dyne/cm
    Molar Volume: 300.1±5.0 cm3

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