N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide

C13H20F2N2O2 — CID 167627425

IUPACN-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide
SMILESCCN(CC1C(=O)C2CCN1CC2)C(=O)C(C)(F)F
InChIInChI=1S/C13H20F2N2O2/c1-3-16(12(19)13(2,14)15)8-10-11(18)9-4-6-17(10)7-5-9/h9-10H,3-8H2,1-2H3
InChIKeyNHQXFXNWUTXZLG-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.15
Rot. Bonds4

About N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide

N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide (PubChem CID 167627425) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide
PubChem CID167627425
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide
SMILESCCN(CC1C(=O)C2CCN1CC2)C(=O)C(C)(F)F
InChIInChI=1S/C13H20F2N2O2/c1-3-16(12(19)13(2,14)15)8-10-11(18)9-4-6-17(10)7-5-9/h9-10H,3-8H2,1-2H3
InChIKeyNHQXFXNWUTXZLG-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide with MolForge

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Related Compounds

(3S)-1-[(2S)-1-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one
CID 138685871
(3S)-1-[1-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one
CID 138685873
2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
CID 146447186
N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
CID 146447241
2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
CID 146447244
2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
CID 164901783
N-cyclopropyl-2,2-difluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
CID 164901796
2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
CID 164901797
N-cyclopropyl-2,2,2-trifluoro-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
CID 164901800
2-[(3,3-Difluoro-2-oxopiperidin-1-yl)methyl]-4-methyl-1-azabicyclo[2.2.2]octan-3-one
CID 164901808
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
CID 164901817
2,2,2-trifluoro-N-methyl-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
CID 164901819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide?
The IUPAC name of N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide (CID 167627425) is N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide.
What is the SMILES notation for N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide?
The canonical SMILES for N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide is CCN(CC1C(=O)C2CCN1CC2)C(=O)C(C)(F)F.
What is the InChIKey of N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide?
The InChIKey is NHQXFXNWUTXZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c1-3-16(12(19)13(2,14)15)8-10-11(18)9-4-6-17(10)7-5-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide?
N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide has a molecular weight of 274.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]propanamide is sourced from PubChem (CID 167627425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).