N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C18H19FN2O3 — CID 126468644

IUPACN-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1C2CCC1CC(O)(c1ccco1)C2
InChIInChI=1S/C18H19FN2O3/c19-12-3-5-13(6-4-12)20-17(22)21-14-7-8-15(21)11-18(23,10-14)16-2-1-9-24-16/h1-6,9,14-15,23H,7-8,10-11H2,(H,20,22)
InChIKeyXYZMJGWPQIANFJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.47
Rot. Bonds2

About N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 126468644) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID126468644
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1C2CCC1CC(O)(c1ccco1)C2
InChIInChI=1S/C18H19FN2O3/c19-12-3-5-13(6-4-12)20-17(22)21-14-7-8-15(21)11-18(23,10-14)16-2-1-9-24-16/h1-6,9,14-15,23H,7-8,10-11H2,(H,20,22)
InChIKeyXYZMJGWPQIANFJ-UHFFFAOYSA-N
XLogP3.47
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63764022
N-(4-cyanophenyl)-3-[(2,4-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 71908223
1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone
CID 16670055
2-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridin-2-ylacetamide
CID 16669453
2-[(1S,5S)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 98060387
3-acetamido-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218280
1-[(1R,5S)-3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-fluorophenyl)ethane-1,2-dione
CID 167822777
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 121117106
(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110480
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 126468644) is N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ccc(F)cc1)N1C2CCC1CC(O)(c1ccco1)C2.
What is the InChIKey of N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is XYZMJGWPQIANFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-12-3-5-13(6-4-12)20-17(22)21-14-7-8-15(21)11-18(23,10-14)16-2-1-9-24-16/h1-6,9,14-15,23H,7-8,10-11H2,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 126468644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).