N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide

C17H20F3NO3 — CID 70739900

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCOC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)13-3-1-12(2-4-13)15(22)21-14-5-8-24-16(11-14)6-9-23-10-7-16/h1-4,14H,5-11H2,(H,21,22)
InChIKeyPHYXZQRRDXHUQF-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.16
Rot. Bonds2

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 70739900) has the molecular formula C17H20F3NO3 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID70739900
Molecular FormulaC17H20F3NO3
Molecular Weight343.34 g/mol
Exact Mass343.14
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCOC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)13-3-1-12(2-4-13)15(22)21-14-5-8-24-16(11-14)6-9-23-10-7-16/h1-4,14H,5-11H2,(H,21,22)
InChIKeyPHYXZQRRDXHUQF-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]biphenyl-2-carboxamide
CID 91761800
9-(2,5-Difluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917965
4-Fluoro-N-(tetrahydro-2h-pyran-4-yl)benzamide
CID 51085941
N-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-fluoro-N-(4-fluoro-benzyl)-benzamide
CID 3833011
4-(3-hydroxy-3-methylbutyl)-N-(tetrahydro-2H-pyran-3-ylmethyl)benzamide
CID 56908098
9-(3-Fluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91907693
9-(4-Fluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917972
9-(2-Fluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917974
[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl](4-fluorophenyl)methanone
CID 91918025
[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl](2-fluorophenyl)methanone
CID 91918027
[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl](3-fluorophenyl)methanone
CID 91918028
(2,5-Difluorophenyl)[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl]methanone
CID 91918139

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide (CID 70739900) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide is O=C(NC1CCOC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is PHYXZQRRDXHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3/c18-17(19,20)13-3-1-12(2-4-13)15(22)21-14-5-8-24-16(11-14)6-9-23-10-7-16/h1-4,14H,5-11H2,(H,21,22).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 343.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 70739900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).