ChemSpider 2D Image | (3R,4R)-N-(4-Chlorophenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]-3,4-pyrrolidinedicarboxamide | C26H25ClFN5O4

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

  • Molecular FormulaC26H25ClFN5O4
  • Average mass525.959 Da
  • Monoisotopic mass525.157898 Da
  • ChemSpider ID9504895

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3r,4r)-1-Methylcarbamoylmethyl-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(4-Chloro-Phenyl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2h-Pyridin-1-Yl)-Phenyl]-Amide}
(3R,4R)-N-(4-Chlorophenyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]-3,4-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(3R,4R)-N-(4-Chlorophényl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]-1-[2-(méthylamino)-2-oxoéthyl]-3,4-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
(3R,4R)-N-(4-Chlorphenyl)-N'-[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]-1-[2-(methylamino)-2-oxoethyl]-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-(methylamino)-2-oxoethyl]-, (3R,4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 870.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 480.4±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 51.69
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 71.41
Polar Surface Area: 111 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 368.5±3.0 cm3

Click to predict properties on the Chemicalize site


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