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

C18H19FN2O2 — CID 10267641

IUPACN-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)o1)C1CN2CCC1CC2
InChIInChI=1S/C18H19FN2O2/c19-14-3-1-2-13(10-14)16-4-5-17(23-16)20-18(22)15-11-21-8-6-12(15)7-9-21/h1-5,10,12,15H,6-9,11H2,(H,20,22)
InChIKeyMKKZHKFLHQBKDZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.37
Rot. Bonds3

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

N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide (PubChem CID 10267641) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide
PubChem CID10267641
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)o1)C1CN2CCC1CC2
InChIInChI=1S/C18H19FN2O2/c19-14-3-1-2-13(10-14)16-4-5-17(23-16)20-18(22)15-11-21-8-6-12(15)7-9-21/h1-5,10,12,15H,6-9,11H2,(H,20,22)
InChIKeyMKKZHKFLHQBKDZ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-phenylfuran-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10017469
N-[4-[4-[(3-fluorobenzoyl)amino]phenyl]phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
CID 72958863
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)benzamide
CID 67326377
N-(4-thiophen-2-ylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
CID 10236954
(3R)-N-[4-[4-[(3-chlorobenzoyl)amino]phenyl]phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 11317947
N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10263302
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 18181247
(3R)-N-[4-[4-(methylcarbamoylamino)phenyl]phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 11485757
2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid
CID 54775886
(3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 142994358
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18180447
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[5-(3-fluorophenyl)-1,3-thiazol-4-yl]carbamate
CID 59291288

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
The IUPAC name of N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide (CID 10267641) is N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
The canonical SMILES for N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)o1)C1CN2CCC1CC2.
What is the InChIKey of N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
The InChIKey is MKKZHKFLHQBKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-14-3-1-2-13(10-14)16-4-5-17(23-16)20-18(22)15-11-21-8-6-12(15)7-9-21/h1-5,10,12,15H,6-9,11H2,(H,20,22).
What are the key properties of N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide?
N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)furan-2-yl]-1-azabicyclo[2.2.2]octane-3-carboxamide is sourced from PubChem (CID 10267641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).