ChemSpider 2D Image | N-{(2S)-1-[(3-Acetamidophenyl)amino]-1-oxo-2-propanyl}-4-(4-chlorophenyl)-1-piperazinecarboxamide | C22H26ClN5O3

N-{(2S)-1-[(3-Acetamidophenyl)amino]-1-oxo-2-propanyl}-4-(4-chlorophenyl)-1-piperazinecarboxamide

  • Molecular FormulaC22H26ClN5O3
  • Average mass443.927 Da
  • Monoisotopic mass443.172424 Da
  • ChemSpider ID30670171

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinecarboxamide, N-[(1S)-2-[[3-(acetylamino)phenyl]amino]-1-methyl-2-oxoethyl]-4-(4-chlorophenyl)- [ACD/Index Name]
N-{(2S)-1-[(3-Acetamidophenyl)amino]-1-oxo-2-propanyl}-4-(4-chlorophenyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
N-{(2S)-1-[(3-Acétamidophényl)amino]-1-oxo-2-propanyl}-4-(4-chlorophényl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-{(2S)-1-[(3-Acetamidophenyl)amino]-1-oxo-2-propanyl}-4-(4-chlorphenyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
(2S)-2-[4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBONYLAMINO]-N-(3-ACETAMIDOPHENYL)PROPANAMIDE
(2S)-2-{[4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBONYL]AMINO}-N-(3-ACETAMIDOPHENYL)PROPANAMIDE
1374565-72-6 [RN]
4-(4-Chloro-phenyl)-piperazine-1-carboxylic acid [1-(3-acetylamino-phenylcarbamoyl)-ethyl]-amide
N-[(2S)-1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-(4-chlorophenyl)piperazine-1-carboxamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 797.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 115.9±3.0 kJ/mol
    Flash Point: 435.8±32.9 °C
    Index of Refraction: 1.645
    Molar Refractivity: 120.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.50
    ACD/LogD (pH 5.5): 2.27
    ACD/BCF (pH 5.5): 31.03
    ACD/KOC (pH 5.5): 406.38
    ACD/LogD (pH 7.4): 2.27
    ACD/BCF (pH 7.4): 31.16
    ACD/KOC (pH 7.4): 408.07
    Polar Surface Area: 94 Å2
    Polarizability: 47.7±0.5 10-24cm3
    Surface Tension: 62.7±3.0 dyne/cm
    Molar Volume: 332.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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