N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide

C16H20FNO3 — CID 112729639

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20FNO3/c1-11-2-3-12(17)10-14(11)15(19)18-13-4-6-16(7-5-13)20-8-9-21-16/h2-3,10,13H,4-9H2,1H3,(H,18,19)
InChIKeyKELKGSDWQYUEPI-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.55
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide (PubChem CID 112729639) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
PubChem CID112729639
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C16H20FNO3/c1-11-2-3-12(17)10-14(11)15(19)18-13-4-6-16(7-5-13)20-8-9-21-16/h2-3,10,13H,4-9H2,1H3,(H,18,19)
InChIKeyKELKGSDWQYUEPI-UHFFFAOYSA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 47249822
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide
CID 78950976
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
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-fluoro-6-hydroxybenzamide
CID 104916913
N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide
CID 112729640
N-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-2-methylbenzamide
CID 96547544
N-[1-(cyanomethyl)piperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 63626427

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide (CID 112729639) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide?
The InChIKey is KELKGSDWQYUEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11-2-3-12(17)10-14(11)15(19)18-13-4-6-16(7-5-13)20-8-9-21-16/h2-3,10,13H,4-9H2,1H3,(H,18,19).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide has a molecular weight of 293.34 g/mol, XLogP of 2.55, 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)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 112729639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).