N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide

C17H20F3NO3 — CID 18583820

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1COC2(CCCCC2)O1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)13-6-4-12(5-7-13)15(22)21-10-14-11-23-16(24-14)8-2-1-3-9-16/h4-7,14H,1-3,8-11H2,(H,21,22)
InChIKeyJJNUJGJDFLYZEF-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.51
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 18583820) has the molecular formula C17H20F3NO3 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID18583820
Molecular FormulaC17H20F3NO3
Molecular Weight343.34 g/mol
Exact Mass343.14
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1COC2(CCCCC2)O1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)13-6-4-12(5-7-13)15(22)21-10-14-11-23-16(24-14)8-2-1-3-9-16/h4-7,14H,1-3,8-11H2,(H,21,22)
InChIKeyJJNUJGJDFLYZEF-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, N-tetrahydrofurfuryl-3-fluoro-
CID 532005
Benzamide, N-tetrahydrofurfuryl-4-fluoro-
CID 531952
Benzamide, N-tetrahydrofurfuryl-4-methyl-
CID 531825
Benzamide, N-tetrahydrofurfuryl-2-fluoro-
CID 531932
(3,4-difluorophenyl)-N-(oxolan-2-ylmethyl)carboxamide
CID 3153082
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-3,4-difluorobenzamide
CID 18583794
N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)-2-(trifluoromethyl)benzamide
CID 18583922
N-(Propan-2-YL)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 45982980
N-(Butan-2-YL)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 45982981
N-propyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 45982982
4-[2-(1,3-Dioxolan-2-yl)piperidine-1-carbonyl]benzamide
CID 53548350
N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536617

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide (CID 18583820) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide is O=C(NCC1COC2(CCCCC2)O1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is JJNUJGJDFLYZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3/c18-17(19,20)13-6-4-12(5-7-13)15(22)21-10-14-11-23-16(24-14)8-2-1-3-9-16/h4-7,14H,1-3,8-11H2,(H,21,22).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 343.34 g/mol, XLogP of 3.51, 3 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-3-ylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 18583820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).