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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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).