ChemSpider 2D Image | (1R,3S,5R)-3-(4-Chlorophenyl)-N-(4-pyridinylmethyl)-1-adamantanecarboxamide | C23H25ClN2O

(1R,3S,5R)-3-(4-Chlorophenyl)-N-(4-pyridinylmethyl)-1-adamantanecarboxamide

  • Molecular FormulaC23H25ClN2O
  • Average mass380.910 Da
  • Monoisotopic mass380.165527 Da
  • ChemSpider ID60599317

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,3S,5R)-3-(4-Chlorophenyl)-N-(4-pyridinylmethyl)-1-adamantanecarboxamide [ACD/IUPAC Name]
(1R,3S,5R)-3-(4-Chlorophényl)-N-(4-pyridinylméthyl)-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
(1R,3S,5R)-3-(4-Chlorphenyl)-N-(4-pyridinylmethyl)-1-adamantancarboxamid [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxamide, 3-(4-chlorophenyl)-N-(4-pyridinylmethyl)-, (1R,3S,5R)- [ACD/Index Name]
3-(4-chloro-phenyl)-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)-amide
915385-81-8 [RN]
ABC294640
MFCD22666355

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 589.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.0±3.0 kJ/mol
    Flash Point: 310.3±30.1 °C
    Index of Refraction: 1.632
    Molar Refractivity: 106.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.16
    ACD/LogD (pH 5.5): 4.65
    ACD/BCF (pH 5.5): 1816.64
    ACD/KOC (pH 5.5): 6672.73
    ACD/LogD (pH 7.4): 4.82
    ACD/BCF (pH 7.4): 2712.89
    ACD/KOC (pH 7.4): 9964.74
    Polar Surface Area: 42 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 57.7±3.0 dyne/cm
    Molar Volume: 299.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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