ChemSpider 2D Image | N-(1-{1-[(1-Cyanocyclohexyl)amino]-1-oxo-2-propanyl}-4-piperidinyl)-4-fluorobenzamide | C22H29FN4O2

N-(1-{1-[(1-Cyanocyclohexyl)amino]-1-oxo-2-propanyl}-4-piperidinyl)-4-fluorobenzamide

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22808888

More details:

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

1-Piperidineacetamide, N-(1-cyanocyclohexyl)-4-[(4-fluorobenzoyl)amino]-α-methyl- [ACD/Index Name]
N-(1-{1-[(1-Cyancyclohexyl)amino]-1-oxo-2-propanyl}-4-piperidinyl)-4-fluorbenzamid [German] [ACD/IUPAC Name]
N-(1-{1-[(1-Cyanocyclohexyl)amino]-1-oxo-2-propanyl}-4-piperidinyl)-4-fluorobenzamide [ACD/IUPAC Name]
N-(1-{1-[(1-Cyanocyclohexyl)amino]-1-oxo-2-propanyl}-4-pipéridinyl)-4-fluorobenzamide [French] [ACD/IUPAC Name]
1050795-39-5 [RN]
N-(1-{1-[(1-CYANOCYCLOHEXYL)CARBAMOYL]ETHYL}PIPERIDIN-4-YL)-4-FLUOROBENZAMIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 646.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 344.9±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 32.42
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 32.63
ACD/KOC (pH 7.4): 403.07
Polar Surface Area: 85 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 329.2±5.0 cm3

Click to predict properties on the Chemicalize site


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