N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C13H12F4N2O — CID 107641674

IUPACN-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)C1CC2CCC1N2
InChIInChI=1S/C13H12F4N2O/c14-7-4-8(15)11(17)12(10(7)16)19-13(20)6-3-5-1-2-9(6)18-5/h4-6,9,18H,1-3H2,(H,19,20)
InChIKeyNZZWEZJRTOWZNY-UHFFFAOYSA-N
MW288.24 g/mol
LogP2.32
Rot. Bonds2

About N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 107641674) has the molecular formula C13H12F4N2O and a molecular weight of 288.24 g/mol. Its IUPAC name is N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID107641674
Molecular FormulaC13H12F4N2O
Molecular Weight288.24 g/mol
Exact Mass288.09
IUPAC NameN-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)C1CC2CCC1N2
InChIInChI=1S/C13H12F4N2O/c14-7-4-8(15)11(17)12(10(7)16)19-13(20)6-3-5-1-2-9(6)18-5/h4-6,9,18H,1-3H2,(H,19,20)
InChIKeyNZZWEZJRTOWZNY-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluoro-6-nitrophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81308396
N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 82016005
N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103814554
N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107646142
N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 104618514
7-azabicyclo[2.2.1]heptan-2-yl-(2,3,4-trifluorophenyl)methanone
CID 116576075
N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 116786997
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
CID 107641757
N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 102695453
4-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641715
N-(2,5-dimethyl-4-nitrophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103145425
N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 83166662

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 107641674) is N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1c(F)c(F)cc(F)c1F)C1CC2CCC1N2.
What is the InChIKey of N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NZZWEZJRTOWZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O/c14-7-4-8(15)11(17)12(10(7)16)19-13(20)6-3-5-1-2-9(6)18-5/h4-6,9,18H,1-3H2,(H,19,20).
What are the key properties of N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 288.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 107641674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).