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Search term: VDGIZMNHDDBEBU (Found by InChIKey (skeleton match))

ChemSpider 2D Image | AB-FUBINACA isomer 1 | C20H21FN4O2

AB-FUBINACA isomer 1

  • Molecular FormulaC20H21FN4O2
  • Average mass368.405 Da
  • Monoisotopic mass368.164856 Da
  • ChemSpider ID30922439

More details:






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

1H-Indazole-3-carboxamide, N-[1-(aminocarbonyl)butyl]-1-[(4-fluorophenyl)methyl]- [ACD/Index Name]
AB-FUBINACA isomer 1
N-(1-Amino-1-oxo-2-pentanyl)-1-(4-fluorbenzyl)-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-(1-Amino-1-oxo-2-pentanyl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-(1-Amino-1-oxo-2-pentanyl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
2-({1-[(4-FLUOROPHENYL)METHYL]-1H-INDAZOL-3-YL}FORMAMIDO)PENTANAMIDE
2-({1-[(4-FLUOROPHENYL)METHYL]INDAZOL-3-YL}FORMAMIDO)PENTANAMIDE
N-(1-amino-1-oxopentan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.5±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.32
ACD/KOC (pH 5.5): 409.53
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.30
ACD/KOC (pH 7.4): 409.25
Polar Surface Area: 90 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 282.5±7.0 cm3

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