ChemSpider 2D Image | N-[4-Chloro-3-(trifluoromethyl)phenyl]-4-fluoro-Nalpha-{[1-(trifluoroacetyl)-4-piperidinyl]carbonyl}phenylalaninamide | C24H21ClF7N3O3

N-[4-Chloro-3-(trifluoromethyl)phenyl]-4-fluoro-Nα-{[1-(trifluoroacetyl)-4-piperidinyl]carbonyl}phenylalaninamide

  • Molecular FormulaC24H21ClF7N3O3
  • Average mass567.884 Da
  • Monoisotopic mass567.115967 Da
  • ChemSpider ID120936211

More details:

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

4-Piperidinecarboxamide, N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)- [ACD/Index Name]
N-[4-Chlor-3-(trifluormethyl)phenyl]-4-fluor-Nα-{[1-(trifluoracetyl)-4-piperidinyl]carbonyl}phenylalaninamid [German] [ACD/IUPAC Name]
N-[4-Chloro-3-(trifluorométhyl)phényl]-4-fluoro-Nα-{[1-(2,2,2-trifluoroacétyl)-4-pipéridinyl]carbonyl}phénylalaninamide [French] [ACD/IUPAC Name]
N-[4-Chloro-3-(trifluoromethyl)phenyl]-4-fluoro-Nα-{[1-(trifluoroacetyl)-4-piperidinyl]carbonyl}phenylalaninamide [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 742.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 403.1±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3783.76
ACD/KOC (pH 5.5): 12666.92
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3783.67
ACD/KOC (pH 7.4): 12666.63
Polar Surface Area: 79 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 390.0±3.0 cm3

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