2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide

C24H31F5N2O — CID 169216238

IUPAC2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)F)c1)C1CCC2(CC1)CN(CC(F)(F)C1CCCCC1)C2
InChIInChI=1S/C24H31F5N2O/c25-19-10-17(21(26)27)11-20(12-19)30-22(32)16-6-8-23(9-7-16)13-31(14-23)15-24(28,29)18-4-2-1-3-5-18/h10-12,16,18,21H,1-9,13-15H2,(H,30,32)
InChIKeyNYYARMGHNPFFCP-UHFFFAOYSA-N
MW458.52 g/mol
LogP6.41
Rot. Bonds6

About 2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide

2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 169216238) has the molecular formula C24H31F5N2O and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
PubChem CID169216238
Molecular FormulaC24H31F5N2O
Molecular Weight458.52 g/mol
Exact Mass458.24
IUPAC Name2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)F)c1)C1CCC2(CC1)CN(CC(F)(F)C1CCCCC1)C2
InChIInChI=1S/C24H31F5N2O/c25-19-10-17(21(26)27)11-20(12-19)30-22(32)16-6-8-23(9-7-16)13-31(14-23)15-24(28,29)18-4-2-1-3-5-18/h10-12,16,18,21H,1-9,13-15H2,(H,30,32)
InChIKeyNYYARMGHNPFFCP-UHFFFAOYSA-N
XLogP6.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216205
2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216124
2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216210
2-[(1-cyanocyclopropyl)methyl]-N-[3-(difluoromethoxy)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216132
N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107333937
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide
CID 169216848
N-(3-chloro-5-fluorophenyl)-2-[6-(2-cyclohexyl-2,2-difluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]acetamide
CID 169215779
N-[3-(difluoromethyl)-5-fluorophenyl]formamide;2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)-1-morpholin-4-ylethanone
CID 169216063
N-(3-chloro-5-fluorophenyl)-2-[2-(cyclopentylamino)-2-oxoethyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216766
N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide
CID 107333878
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide (CID 169216238) is 2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide is O=C(Nc1cc(F)cc(C(F)F)c1)C1CCC2(CC1)CN(CC(F)(F)C1CCCCC1)C2.
What is the InChIKey of 2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is NYYARMGHNPFFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F5N2O/c25-19-10-17(21(26)27)11-20(12-19)30-22(32)16-6-8-23(9-7-16)13-31(14-23)15-24(28,29)18-4-2-1-3-5-18/h10-12,16,18,21H,1-9,13-15H2,(H,30,32).
What are the key properties of 2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide?
2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 169216238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).