2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide

C18H22F4N2O2 — CID 178021035

IUPAC2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc[nH]c(=O)c1)C1CC(F)(F)CCC1C1CCC(F)(F)CC1
InChIInChI=1S/C18H22F4N2O2/c19-17(20)5-1-11(2-6-17)13-3-7-18(21,22)10-14(13)16(26)24-12-4-8-23-15(25)9-12/h4,8-9,11,13-14H,1-3,5-7,10H2,(H2,23,24,25,26)
InChIKeyAGDFHQPVTVARFG-UHFFFAOYSA-N
MW374.38 g/mol
LogP4.19
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide

2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide (PubChem CID 178021035) has the molecular formula C18H22F4N2O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide
PubChem CID178021035
Molecular FormulaC18H22F4N2O2
Molecular Weight374.38 g/mol
Exact Mass374.16
IUPAC Name2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc[nH]c(=O)c1)C1CC(F)(F)CCC1C1CCC(F)(F)CC1
InChIInChI=1S/C18H22F4N2O2/c19-17(20)5-1-11(2-6-17)13-3-7-18(21,22)10-14(13)16(26)24-12-4-8-23-15(25)9-12/h4,8-9,11,13-14H,1-3,5-7,10H2,(H2,23,24,25,26)
InChIKeyAGDFHQPVTVARFG-UHFFFAOYSA-N
XLogP4.19
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide (CID 178021035) is 2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide is O=C(Nc1cc[nH]c(=O)c1)C1CC(F)(F)CCC1C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is AGDFHQPVTVARFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N2O2/c19-17(20)5-1-11(2-6-17)13-3-7-18(21,22)10-14(13)16(26)24-12-4-8-23-15(25)9-12/h4,8-9,11,13-14H,1-3,5-7,10H2,(H2,23,24,25,26).
What are the key properties of 2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide?
2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-5,5-difluoro-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 178021035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).