N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C14H14FN3O — CID 82016005

IUPACN-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1CC2CCC1N2
InChIInChI=1S/C14H14FN3O/c15-9-1-3-12(8(5-9)7-16)18-14(19)11-6-10-2-4-13(11)17-10/h1,3,5,10-11,13,17H,2,4,6H2,(H,18,19)
InChIKeyAMPCAVLPXVGWKT-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.78
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 82016005) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID82016005
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1CC2CCC1N2
InChIInChI=1S/C14H14FN3O/c15-9-1-3-12(8(5-9)7-16)18-14(19)11-6-10-2-4-13(11)17-10/h1,3,5,10-11,13,17H,2,4,6H2,(H,18,19)
InChIKeyAMPCAVLPXVGWKT-UHFFFAOYSA-N
XLogP1.78
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 82016005) is N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is N#Cc1cc(F)ccc1NC(=O)C1CC2CCC1N2.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AMPCAVLPXVGWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-9-1-3-12(8(5-9)7-16)18-14(19)11-6-10-2-4-13(11)17-10/h1,3,5,10-11,13,17H,2,4,6H2,(H,18,19).
What are the key properties of N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 82016005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).