ChemSpider 2D Image | N-[2-Chloro-5-(trifluoromethyl)phenyl]-4-fluoro-Nalpha-{[1-(trifluoroacetyl)-4-piperidinyl]carbonyl}phenylalaninamide | C24H21ClF7N3O3

N-[2-Chloro-5-(trifluoromethyl)phenyl]-4-fluoro-Nα-{[1-(trifluoroacetyl)-4-piperidinyl]carbonyl}phenylalaninamide

  • Molecular FormulaC24H21ClF7N3O3
  • Average mass567.884 Da
  • Monoisotopic mass567.115967 Da
  • ChemSpider ID120938954

More details:

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

4-Piperidinecarboxamide, N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)- [ACD/Index Name]
N-[2-Chlor-5-(trifluormethyl)phenyl]-4-fluor-Nα-{[1-(trifluoracetyl)-4-piperidinyl]carbonyl}phenylalaninamid [German] [ACD/IUPAC Name]
N-[2-Chloro-5-(trifluorométhyl)phényl]-4-fluoro-Nα-{[1-(2,2,2-trifluoroacétyl)-4-pipéridinyl]carbonyl}phénylalaninamide [French] [ACD/IUPAC Name]
N-[2-Chloro-5-(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: 730.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.5±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: 5.18
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2510.82
ACD/KOC (pH 5.5): 9444.61
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2510.75
ACD/KOC (pH 7.4): 9444.35
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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