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

C14H17FN2O2 — CID 63764022

IUPACN-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H17FN2O2/c15-9-1-3-10(4-2-9)16-14(19)17-11-5-6-12(17)8-13(18)7-11/h1-4,11-13,18H,5-8H2,(H,16,19)
InChIKeyHXMYQSCDGZYIMK-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.35
Rot. Bonds1

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

N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 63764022) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID63764022
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H17FN2O2/c15-9-1-3-10(4-2-9)16-14(19)17-11-5-6-12(17)8-13(18)7-11/h1-4,11-13,18H,5-8H2,(H,16,19)
InChIKeyHXMYQSCDGZYIMK-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63762447
3-acetamido-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218280
N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63763329
[(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 45273886
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 66996834
N-(4-fluorophenyl)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 126468644
(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110480
N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 146075621
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
3-methylsulfonyl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 90591134
(1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 167968785
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 63764022) is N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ccc(F)cc1)N1C2CCC1CC(O)C2.
What is the InChIKey of N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is HXMYQSCDGZYIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-9-1-3-10(4-2-9)16-14(19)17-11-5-6-12(17)8-13(18)7-11/h1-4,11-13,18H,5-8H2,(H,16,19).
What are the key properties of N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 63764022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).