4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide

C17H23FN2O3 — CID 71936290

IUPAC4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide
SMILESCN(C)c1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C17H23FN2O3/c1-20(2)15-4-3-12(11-14(15)18)16(21)19-13-5-7-17(8-6-13)22-9-10-23-17/h3-4,11,13H,5-10H2,1-2H3,(H,19,21)
InChIKeyXBBIRPLQIJPUAI-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.31
Rot. Bonds3

About 4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide

4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide (PubChem CID 71936290) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide
PubChem CID71936290
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide
SMILESCN(C)c1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C17H23FN2O3/c1-20(2)15-4-3-12(11-14(15)18)16(21)19-13-5-7-17(8-6-13)22-9-10-23-17/h3-4,11,13H,5-10H2,1-2H3,(H,19,21)
InChIKeyXBBIRPLQIJPUAI-UHFFFAOYSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide
CID 81422797
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
CID 112729639
N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide
CID 112729640
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
CID 104916913
N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 104626056
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 47249822
4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 78980766
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide
CID 78950976
N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide
CID 51096612
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide
CID 61466151

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide?
The IUPAC name of 4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide (CID 71936290) is 4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide?
The canonical SMILES for 4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide is CN(C)c1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1F.
What is the InChIKey of 4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide?
The InChIKey is XBBIRPLQIJPUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-20(2)15-4-3-12(11-14(15)18)16(21)19-13-5-7-17(8-6-13)22-9-10-23-17/h3-4,11,13H,5-10H2,1-2H3,(H,19,21).
What are the key properties of 4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide?
4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide has a molecular weight of 322.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide is sourced from PubChem (CID 71936290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).