2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide

C10H17FN2O — CID 130562064

IUPAC2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCC1=CCNCC1
InChIInChI=1S/C10H17FN2O/c1-10(2,11)9(14)13-7-8-3-5-12-6-4-8/h3,12H,4-7H2,1-2H3,(H,13,14)
InChIKeyUYJSRCGYVRXNAW-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.77
Rot. Bonds3

About 2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide

2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide (PubChem CID 130562064) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
PubChem CID130562064
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCC1=CCNCC1
InChIInChI=1S/C10H17FN2O/c1-10(2,11)9(14)13-7-8-3-5-12-6-4-8/h3,12H,4-7H2,1-2H3,(H,13,14)
InChIKeyUYJSRCGYVRXNAW-UHFFFAOYSA-N
XLogP0.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide (CID 130562064) is 2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide is CC(C)(F)C(=O)NCC1=CCNCC1.
What is the InChIKey of 2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The InChIKey is UYJSRCGYVRXNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-10(2,11)9(14)13-7-8-3-5-12-6-4-8/h3,12H,4-7H2,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide has a molecular weight of 200.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 130562064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).