ChemSpider 2D Image | (2r,4s)-N^1^-(4-Chlorophenyl)-N^2^-[2-Fluoro-4-(2-Oxopyridin-1(2h)-Yl)phenyl]-4-Hydroxy-4-Phenylpyrrolidine-1,2-Dicarboxamide | C29H24ClFN4O4

(2r,4s)-N^1^-(4-Chlorophenyl)-N^2^-[2-Fluoro-4-(2-Oxopyridin-1(2h)-Yl)phenyl]-4-Hydroxy-4-Phenylpyrrolidine-1,2-Dicarboxamide

  • Molecular FormulaC29H24ClFN4O4
  • Average mass546.977 Da
  • Monoisotopic mass546.147034 Da
  • ChemSpider ID24715791

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2r,4s)-N^1^-(4-Chlorophenyl)-N^2^-[2-Fluoro-4-(2-Oxopyridin-1(2h)-Yl)phenyl]-4-Hydroxy-4-Phenylpyrrolidine-1,2-Dicarboxamide
(2R,4S)-N1-(4-Chlorophenyl)-N2-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-4-hydroxy-4-phenyl-1,2-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(2R,4S)-N1-(4-Chlorophényl)-N2-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]-4-hydroxy-4-phényl-1,2-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
(2R,4S)-N1-(4-Chlorphenyl)-N2-[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]-4-hydroxy-4-phenyl-1,2-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxamide, N1-(4-chlorophenyl)-N2-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-4-hydroxy-4-phenyl-, (2R,4S)- [ACD/Index Name]
(2R,4S)-N1-(4-Chlorophenyl)-N2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515107/
L1D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 865.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 477.1±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.70
ACD/KOC (pH 5.5): 680.78
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.70
ACD/KOC (pH 7.4): 680.76
Polar Surface Area: 102 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 76.1±3.0 dyne/cm
Molar Volume: 368.1±3.0 cm3

Click to predict properties on the Chemicalize site


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