ChemSpider 2D Image | (2R)-2-Amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)-1-piperazinyl]-1-propanone | C20H20ClF2N3O2

(2R)-2-Amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC20H20ClF2N3O2
  • Average mass407.841 Da
  • Monoisotopic mass407.121216 Da
  • ChemSpider ID26325254
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-Amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
(2R)-2-Amino-3-(3-chlorophényl)-1-[4-(2,5-difluorobenzoyl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
(2R)-2-Amino-3-(3-chlorphenyl)-1-[4-(2,5-difluorbenzoyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)-1-piperazinyl]-, (2R)- [ACD/Index Name]
0DI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 604.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.6±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 2.49
ACD/KOC (pH 7.4): 42.24
Polar Surface Area: 67 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 298.5±3.0 cm3

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