ChemSpider 2D Image | N-{(2S)-1-[4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]-2-propanyl}-4-fluorobenzamide | C22H24BrFN4O2

N-{(2S)-1-[4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]-2-propanyl}-4-fluorobenzamide

  • Molecular FormulaC22H24BrFN4O2
  • Average mass475.354 Da
  • Monoisotopic mass474.106659 Da
  • ChemSpider ID26647675
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzamide, N-[(1S)-2-[4-(5-bromo-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]-1-methylethyl]-4-fluoro- [ACD/Index Name]
N-{(2S)-1-[4-(5-Brom-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]-2-propanyl}-4-fluorbenzamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]-2-propanyl}-4-fluorobenzamide [ACD/IUPAC Name]
N-{(2S)-1-[4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-pipéridinyl]-2-propanyl}-4-fluorobenzamide [French] [ACD/IUPAC Name]
N-[(1S)-2-[4-(5-bromo-2-keto-3H-benzimidazol-1-yl)piperidino]-1-methyl-ethyl]-4-fluoro-benzamide;2,2,2-trifluoroacetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 115.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 16.93
ACD/KOC (pH 5.5): 52.42
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 859.16
ACD/KOC (pH 7.4): 2660.06
Polar Surface Area: 65 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 332.9±3.0 cm3

Click to predict properties on the Chemicalize site






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