ChemSpider 2D Image | N-[4-Chloro-3-(trifluoromethyl)phenyl]-2'-(2-furylmethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide | C26H22ClF3N2O3

N-[4-Chloro-3-(trifluoromethyl)phenyl]-2'-(2-furylmethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide

  • Molecular FormulaC26H22ClF3N2O3
  • Average mass502.913 Da
  • Monoisotopic mass502.127106 Da
  • ChemSpider ID126138359

More details:

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

N-[4-Chlor-3-(trifluormethyl)phenyl]-2'-(2-furylmethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamid [German] [ACD/IUPAC Name]
N-[4-Chloro-3-(trifluoromethyl)phenyl]-2'-(2-furylmethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide [ACD/IUPAC Name]
N-[4-Chloro-3-(trifluorométhyl)phényl]-2'-(2-furylméthyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide [French] [ACD/IUPAC Name]
Spiro[cyclopentane-1,3'(2'H)-isoquinoline]-4'-carboxamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2'-(2-furanylmethyl)-1',4'-dihydro-1'-oxo- [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: 663.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 354.9±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8489.68
ACD/KOC (pH 5.5): 22588.68
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8489.63
ACD/KOC (pH 7.4): 22588.53
Polar Surface Area: 63 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 351.0±5.0 cm3

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