2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide

C14H25FN2O — CID 167210922

IUPAC2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide
SMILESCCC(F)(CC)C(=O)NC1(C)CN2CCC1CC2
InChIInChI=1S/C14H25FN2O/c1-4-14(15,5-2)12(18)16-13(3)10-17-8-6-11(13)7-9-17/h11H,4-10H2,1-3H3,(H,16,18)
InChIKeyRBHFFBPWLFXAJJ-UHFFFAOYSA-N
MW256.36 g/mol
LogP2.12
Rot. Bonds4

About 2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide

2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide (PubChem CID 167210922) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is 2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide
PubChem CID167210922
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide
SMILESCCC(F)(CC)C(=O)NC1(C)CN2CCC1CC2
InChIInChI=1S/C14H25FN2O/c1-4-14(15,5-2)12(18)16-13(3)10-17-8-6-11(13)7-9-17/h11H,4-10H2,1-3H3,(H,16,18)
InChIKeyRBHFFBPWLFXAJJ-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide?
The IUPAC name of 2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide (CID 167210922) is 2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide.
What is the SMILES notation for 2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide?
The canonical SMILES for 2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide is CCC(F)(CC)C(=O)NC1(C)CN2CCC1CC2.
What is the InChIKey of 2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide?
The InChIKey is RBHFFBPWLFXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-4-14(15,5-2)12(18)16-13(3)10-17-8-6-11(13)7-9-17/h11H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide?
2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide has a molecular weight of 256.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)butanamide is sourced from PubChem (CID 167210922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).