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Search term: DVMCMTVFXINJGW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,4R)-N-(5-Chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-3,4-pyrrolidinedicarboxamide | C24H21ClF3N5O3

(3R,4R)-N-(5-Chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-3,4-pyrrolidinedicarboxamide

  • Molecular FormulaC24H21ClF3N5O3
  • Average mass519.903 Da
  • Monoisotopic mass519.128479 Da
  • ChemSpider ID25054892

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide]-4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide}
(3R,4R)-N-(5-Chlor-2-pyridinyl)-1-(2,2-difluorethyl)-N'-[2-fluor-4-(2-oxo-1(2H)-pyridinyl)phenyl]-3,4-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
(3R,4R)-N-(5-Chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-3,4-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(3R,4R)-N-(5-Chloro-2-pyridinyl)-1-(2,2-difluoroéthyl)-N'-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phényl]-3,4-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
3,4-Pyrrolidinedicarboxamide, N3-(5-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)-N4-[2-fluoro-4-(2-oxo-1(2H)-pyridinyl)phenyl]-, (3R,4R)- [ACD/Index Name]
(3R,4R)-3-N-(5-chloropyridin-2-yl)-1-(2,2-difluoroethyl)-4-N-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]pyrrolidine-3,4-dicarboxamide
865451-66-7 [RN]
R-1663
XBV

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

Density: 1.5±0.1 g/cm3
Boiling Point: 780.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 426.0±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.83
ACD/KOC (pH 5.5): 137.25
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.91
ACD/KOC (pH 7.4): 138.77
Polar Surface Area: 95 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 350.5±3.0 cm3

Click to predict properties on the Chemicalize site


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