8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

C23H22F5N3O2 — CID 71566536

IUPAC8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1
InChIInChI=1S/C23H22F5N3O2/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-16-6-4-15(5-7-16)23(26,27)28/h1-7H,8-14H2,(H,29,33)
InChIKeyKBSLYWMFANXFDE-UHFFFAOYSA-N
MW467.44 g/mol
LogP5.14
Rot. Bonds2

About 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 71566536) has the molecular formula C23H22F5N3O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID71566536
Molecular FormulaC23H22F5N3O2
Molecular Weight467.44 g/mol
Exact Mass467.16
IUPAC Name8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1
InChIInChI=1S/C23H22F5N3O2/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-16-6-4-15(5-7-16)23(26,27)28/h1-7H,8-14H2,(H,29,33)
InChIKeyKBSLYWMFANXFDE-UHFFFAOYSA-N
XLogP5.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide with MolForge

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Related Compounds

3,4-Difluoro-N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-YL]ethyl}benzamide
CID 53393916
Fluspiperone
CID 166535
3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 5329889
3,4-Difluoro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105698
4-Fluoro-N-(4-fluorobenzoyl)-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105711
N-[4-(1-benzoylpiperidin-4-yl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57510023
1-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]urea
CID 118409099
4-(4-acetylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 2211455
4-(4-acetylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 16012840
N-[2-[4-(4-Methylphenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788870
N1-phenyl-4-benzoylpiperidine-1-carboxamide
CID 2740754
(5Z)-1-[(4-fluorophenyl)methyl]-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1570689

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 71566536) is 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CCN(C(=O)c3c(F)cccc3F)CC2)C1.
What is the InChIKey of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is KBSLYWMFANXFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F5N3O2/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-16-6-4-15(5-7-16)23(26,27)28/h1-7H,8-14H2,(H,29,33).
What are the key properties of 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 467.44 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 71566536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).