ChemSpider 2D Image | (3R,4R)-N-(4-Chlorophenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(2,2,2-trifluoroethyl)-3,4-pyrrolidinedicarboxamide | C25H21ClF4N4O3

(3R,4R)-N-(4-Chlorophenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(2,2,2-trifluoroethyl)-3,4-pyrrolidinedicarboxamide

  • Molecular FormulaC25H21ClF4N4O3
  • Average mass536.906 Da
  • Monoisotopic mass536.123840 Da
  • ChemSpider ID25060695

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-N-(4-Chlorophenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(2,2,2-trifluoroethyl)-3,4-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(3R,4R)-N-(4-Chlorophényl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]-1-(2,2,2-trifluoroéthyl)-3,4-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
(3r,4r)-N-(4-Chlorophenyl)-N'-[2-Fluoro-4-(2-Oxopyridin-1(2h)-Yl)phenyl]-1-(2,2,2-Trifluoroethyl)pyrrolidine-3,4-Dicarboxamide
(3R,4R)-N-(4-Chlorphenyl)-N'-[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(2,2,2-trifluorethyl)-3,4-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
3,4-Pyrrolidinedicarboxamide, N3-(4-chlorophenyl)-N4-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(2,2,2-trifluoroethyl)-, (3R,4R)- [ACD/Index Name]
IVK

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

Density: 1.5±0.1 g/cm3
Boiling Point: 744.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.8±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 128.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.41
ACD/KOC (pH 5.5): 534.26
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.42
ACD/KOC (pH 7.4): 534.38
Polar Surface Area: 82 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 362.4±3.0 cm3

Click to predict properties on the Chemicalize site


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