N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide

C15H18FNO4 — CID 104916913

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1c(O)cccc1F
InChIInChI=1S/C15H18FNO4/c16-11-2-1-3-12(18)13(11)14(19)17-10-4-6-15(7-5-10)20-8-9-21-15/h1-3,10,18H,4-9H2,(H,17,19)
InChIKeyNHHPNSWWOAUZFA-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.95
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide (PubChem CID 104916913) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
PubChem CID104916913
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1c(O)cccc1F
InChIInChI=1S/C15H18FNO4/c16-11-2-1-3-12(18)13(11)14(19)17-10-4-6-15(7-5-10)20-8-9-21-15/h1-3,10,18H,4-9H2,(H,17,19)
InChIKeyNHHPNSWWOAUZFA-UHFFFAOYSA-N
XLogP1.95
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 47249822
2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
CID 104920582
methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 104917472
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 107014639
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide
CID 81422797
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol
CID 171811425
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
CID 112729639
4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 78980766
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide (CID 104916913) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide is O=C(NC1CCC2(CC1)OCCO2)c1c(O)cccc1F.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is NHHPNSWWOAUZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-11-2-1-3-12(18)13(11)14(19)17-10-4-6-15(7-5-10)20-8-9-21-15/h1-3,10,18H,4-9H2,(H,17,19).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 295.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104916913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).