ChemSpider 2D Image | Methyl 4-{[(2Z)-2-cyano-3-hydroxy-2-pentenoyl]amino}-4'-fluoro-2-biphenylcarboxylate | C20H17FN2O4

Methyl 4-{[(2Z)-2-cyano-3-hydroxy-2-pentenoyl]amino}-4'-fluoro-2-biphenylcarboxylate

  • Molecular FormulaC20H17FN2O4
  • Average mass368.358 Da
  • Monoisotopic mass368.117249 Da
  • ChemSpider ID26325216

  • Double-bond stereo - Double-bond stereo

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4-[[(2Z)-2-cyano-3-hydroxy-1-oxo-2-penten-1-yl]amino]-4'-fluoro-, methyl ester [ACD/Index Name]
4-{[(2Z)-2-Cyano-3-hydroxy-2-pentenoyl]amino}-4'-fluoro-2-biphénylcarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-{[(2Z)-2-cyano-3-hydroxy-2-pentenoyl]amino}-4'-fluoro-2-biphenylcarboxylate [ACD/IUPAC Name]
Methyl 4-{[(2z)-2-Cyano-3-Hydroxypent-2-Enoyl]amino}-4'-Fluorobiphenyl-2-Carboxylate
Methyl-4-{[(2Z)-2-cyan-3-hydroxy-2-pentenoyl]amino}-4'-fluor-2-biphenylcarboxylat [German] [ACD/IUPAC Name]
03U
1352143-68-0 [RN]
methyl 4-[(2Z)-2-cyano-3-hydroxypent-2-enamido]-4'-fluoro-[1,1'-biphenyl]-2-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 584.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.5±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 43.82
ACD/KOC (pH 5.5): 341.64
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.01
Polar Surface Area: 99 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 280.0±3.0 cm3

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