2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

C18H22FN2O+ — CID 8860908

IUPAC2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCCc1ccc(C)[n+](CC(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O/c1-3-15-5-4-14(2)21(12-15)13-18(22)20-11-10-16-6-8-17(19)9-7-16/h4-9,12H,3,10-11,13H2,1-2H3/p+1
InChIKeyJYCWSVOXTMTNCV-UHFFFAOYSA-O
MW301.38 g/mol
LogP2.34
Rot. Bonds6

About 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 8860908) has the molecular formula C18H22FN2O+ and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID8860908
Molecular FormulaC18H22FN2O+
Molecular Weight301.38 g/mol
Exact Mass301.17
IUPAC Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCCc1ccc(C)[n+](CC(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O/c1-3-15-5-4-14(2)21(12-15)13-18(22)20-11-10-16-6-8-17(19)9-7-16/h4-9,12H,3,10-11,13H2,1-2H3/p+1
InChIKeyJYCWSVOXTMTNCV-UHFFFAOYSA-O
XLogP2.34
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8860911
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 8863393
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
2-amino-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 94681068
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
2-O-ethyl 4-O-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278599
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 60685466
N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186683
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110688951
2,2-diethyl-4-[2-(4-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 43397364

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 8860908) is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is CCc1ccc(C)[n+](CC(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is JYCWSVOXTMTNCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21FN2O/c1-3-15-5-4-14(2)21(12-15)13-18(22)20-11-10-16-6-8-17(19)9-7-16/h4-9,12H,3,10-11,13H2,1-2H3/p+1.
What are the key properties of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 301.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 8860908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).