N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide

C15H18FNO3 — CID 112729579

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1ccccc1F
InChIInChI=1S/C15H18FNO3/c16-13-4-2-1-3-12(13)14(18)17-11-5-7-15(8-6-11)19-9-10-20-15/h1-4,11H,5-10H2,(H,17,18)
InChIKeyUNAJAISOTKNOSI-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.24
Rot. Bonds2

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide (PubChem CID 112729579) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
PubChem CID112729579
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1ccccc1F
InChIInChI=1S/C15H18FNO3/c16-13-4-2-1-3-12(13)14(18)17-11-5-7-15(8-6-11)19-9-10-20-15/h1-4,11H,5-10H2,(H,17,18)
InChIKeyUNAJAISOTKNOSI-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 47249822
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
CID 104916913
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
CID 112729639
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide
CID 78950976
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide
CID 81422797
4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide
CID 71936290
4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 78980766
N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64724976
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
CID 112729526
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide (CID 112729579) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide is O=C(NC1CCC2(CC1)OCCO2)c1ccccc1F.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide?
The InChIKey is UNAJAISOTKNOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-13-4-2-1-3-12(13)14(18)17-11-5-7-15(8-6-11)19-9-10-20-15/h1-4,11H,5-10H2,(H,17,18).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide has a molecular weight of 279.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide is sourced from PubChem (CID 112729579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).