N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide

C18H19FN2O2 — CID 18181740

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H19FN2O2/c19-14-4-2-1-3-13(14)16-5-6-17(23-16)18(22)20-15-11-21-9-7-12(15)8-10-21/h1-6,12,15H,7-11H2,(H,20,22)
InChIKeyOIJJDJGHUIMBRJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.91
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 18181740) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID18181740
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H19FN2O2/c19-14-4-2-1-3-13(14)16-5-6-17(23-16)18(22)20-15-11-21-9-7-12(15)8-10-21/h1-6,12,15H,7-11H2,(H,20,22)
InChIKeyOIJJDJGHUIMBRJ-UHFFFAOYSA-N
XLogP2.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
CID 21350196
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide
CID 18182046
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 18181601
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4602961
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-5-phenylfuran-2-carboxamide
CID 59113576
5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180723
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(2-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 20815067
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 23599456
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18180318
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18180447
N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 4566683
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 18180444

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide (CID 18181740) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is OIJJDJGHUIMBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-14-4-2-1-3-13(14)16-5-6-17(23-16)18(22)20-15-11-21-9-7-12(15)8-10-21/h1-6,12,15H,7-11H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 18181740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).