2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide

C16H21FN2O3 — CID 137336157

IUPAC2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
SMILESO=C(NC1CCCOC12CCNCC2)c1cc(O)ccc1F
InChIInChI=1S/C16H21FN2O3/c17-13-4-3-11(20)10-12(13)15(21)19-14-2-1-9-22-16(14)5-7-18-8-6-16/h3-4,10,14,18,20H,1-2,5-9H2,(H,19,21)
InChIKeyJEOWTKWATHEUDC-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.56
Rot. Bonds2

About 2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide

2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide (PubChem CID 137336157) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
PubChem CID137336157
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
SMILESO=C(NC1CCCOC12CCNCC2)c1cc(O)ccc1F
InChIInChI=1S/C16H21FN2O3/c17-13-4-3-11(20)10-12(13)15(21)19-14-2-1-9-22-16(14)5-7-18-8-6-16/h3-4,10,14,18,20H,1-2,5-9H2,(H,19,21)
InChIKeyJEOWTKWATHEUDC-UHFFFAOYSA-N
XLogP1.56
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 137340132
3-hydroxy-4-methoxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 137335440
1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride
CID 154922378
5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride
CID 154923201
5-chloro-2-fluoro-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
CID 135113034
2-fluoro-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide
CID 171361952
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
N-(1-oxa-8-azaspiro[4.5]decan-4-yl)cyclobutanecarboxamide
CID 165477298
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
CID 99972757
5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
CID 119424734
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide?
The IUPAC name of 2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide (CID 137336157) is 2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide?
The canonical SMILES for 2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide is O=C(NC1CCCOC12CCNCC2)c1cc(O)ccc1F.
What is the InChIKey of 2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide?
The InChIKey is JEOWTKWATHEUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-13-4-3-11(20)10-12(13)15(21)19-14-2-1-9-22-16(14)5-7-18-8-6-16/h3-4,10,14,18,20H,1-2,5-9H2,(H,19,21).
What are the key properties of 2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide?
2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide has a molecular weight of 308.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide is sourced from PubChem (CID 137336157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).