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

C22H28ClF3N2O — CID 169216205

IUPACN-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)C1CCC2(CC1)CN(CC(F)(F)C1CCCC1)C2
InChIInChI=1S/C22H28ClF3N2O/c23-17-9-18(24)11-19(10-17)27-20(29)15-5-7-21(8-6-15)12-28(13-21)14-22(25,26)16-3-1-2-4-16/h9-11,15-16H,1-8,12-14H2,(H,27,29)
InChIKeySLMCSUOMNXWRIP-UHFFFAOYSA-N
MW428.93 g/mol
LogP5.74
Rot. Bonds5

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

N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 169216205) has the molecular formula C22H28ClF3N2O and a molecular weight of 428.93 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide
PubChem CID169216205
Molecular FormulaC22H28ClF3N2O
Molecular Weight428.93 g/mol
Exact Mass428.18
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)C1CCC2(CC1)CN(CC(F)(F)C1CCCC1)C2
InChIInChI=1S/C22H28ClF3N2O/c23-17-9-18(24)11-19(10-17)27-20(29)15-5-7-21(8-6-15)12-28(13-21)14-22(25,26)16-3-1-2-4-16/h9-11,15-16H,1-8,12-14H2,(H,27,29)
InChIKeySLMCSUOMNXWRIP-UHFFFAOYSA-N
XLogP5.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.93
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216238
N-(3-chloro-5-fluorophenyl)-2-[2-(cyclopentylamino)-2-oxoethyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216766
2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216210
N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216805
N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216806
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-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216092
2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216124
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
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-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 155419801

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide (CID 169216205) is N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)C1CCC2(CC1)CN(CC(F)(F)C1CCCC1)C2.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is SLMCSUOMNXWRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClF3N2O/c23-17-9-18(24)11-19(10-17)27-20(29)15-5-7-21(8-6-15)12-28(13-21)14-22(25,26)16-3-1-2-4-16/h9-11,15-16H,1-8,12-14H2,(H,27,29).
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide?
N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 428.93 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 169216205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).