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Search term: SWJILZSUKFKHJS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,4S)-N~1~-(4-Chlorophenyl)-4-(3,4-difluorophenyl)-4-hydroxy-N~2~-(2-oxo-2H-1,3'-bipyridin-6'-yl)-1,2-pyrrolidinedicarboxamide | C28H22ClF2N5O4

(2R,4S)-N1-(4-Chlorophenyl)-4-(3,4-difluorophenyl)-4-hydroxy-N2-(2-oxo-2H-1,3'-bipyridin-6'-yl)-1,2-pyrrolidinedicarboxamide

  • Molecular FormulaC28H22ClF2N5O4
  • Average mass565.955 Da
  • Monoisotopic mass565.132813 Da
  • ChemSpider ID24696791

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4S)-N1-(4-Chlorophenyl)-4-(3,4-difluorophenyl)-4-hydroxy-N2-(2-oxo-2H-1,3'-bipyridin-6'-yl)-1,2-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(2R,4S)-N1-(4-Chlorophényl)-4-(3,4-difluorophényl)-4-hydroxy-N2-(2-oxo-2H-1,3'-bipyridin-6'-yl)-1,2-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
(2R,4S)-N1-(4-Chlorphenyl)-4-(3,4-difluorphenyl)-4-hydroxy-N2-(2-oxo-2H-1,3'-bipyridin-6'-yl)-1,2-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxamide, N1-(4-chlorophenyl)-4-(3,4-difluorophenyl)-4-hydroxy-N2-(2-oxo[1(2H),3'-bipyridin]-6'-yl)-, (2R,4S)- [ACD/Index Name]
(2R,4S)-N1-(4-Chlorophenyl)-4-(3,4-difluorophenyl)-4-hydroxy-N2-(5-(2-oxopyridin-1(2H)-yl)pyridin-2-yl)pyrrolidine-1,2-dicarboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL474271/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 888.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.3±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.50
ACD/KOC (pH 5.5): 353.52
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.50
ACD/KOC (pH 7.4): 353.56
Polar Surface Area: 115 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 79.0±3.0 dyne/cm
Molar Volume: 365.5±3.0 cm3

Click to predict properties on the Chemicalize site


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