ChemSpider 2D Image | (3R,4R)-N-(2-Amino-4-chlorophenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidinedicarboxamide | C24H23ClFN5O5S

(3R,4R)-N-(2-Amino-4-chlorophenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidinedicarboxamide

  • Molecular FormulaC24H23ClFN5O5S
  • Average mass547.986 Da
  • Monoisotopic mass547.109253 Da
  • ChemSpider ID9482320

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-N-(2-Amino-4-chlorophenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(3R,4R)-N-(2-Amino-4-chlorophényl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]-1-(méthylsulfonyl)-3,4-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
(3R,4R)-N-(2-Amino-4-chlorphenyl)-N'-[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(methylsulfonyl)-3,4-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
3,4-Pyrrolidinedicarboxamide, N3-(2-amino-4-chlorophenyl)-N4-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-(methylsulfonyl)-, (3R,4R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 66.82
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.55
ACD/KOC (pH 7.4): 67.99
Polar Surface Area: 150 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 78.5±5.0 dyne/cm
Molar Volume: 351.2±5.0 cm3

Click to predict properties on the Chemicalize site


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