2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide

C15H14FN2O2+ — CID 8831431

IUPAC2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
SMILESCC(=O)c1ccc[n+](CC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C15H13FN2O2/c1-11(19)12-5-4-8-18(9-12)10-15(20)17-14-7-3-2-6-13(14)16/h2-9H,10H2,1H3/p+1
InChIKeyDKIVFMRFWUQVJZ-UHFFFAOYSA-O
MW273.29 g/mol
LogP1.95
Rot. Bonds4

About 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide

2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 8831431) has the molecular formula C15H14FN2O2+ and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID8831431
Molecular FormulaC15H14FN2O2+
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
SMILESCC(=O)c1ccc[n+](CC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C15H13FN2O2/c1-11(19)12-5-4-8-18(9-12)10-15(20)17-14-7-3-2-6-13(14)16/h2-9H,10H2,1H3/p+1
InChIKeyDKIVFMRFWUQVJZ-UHFFFAOYSA-O
XLogP1.95
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide
CID 2701298
2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 8831367
N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
CID 126958727
2-(3-acetylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 8830220
N-(2-fluorophenyl)-2-isoquinolin-2-ium-2-ylacetamide chloride
CID 45047019
2-(3-acetylpyridin-1-ium-1-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 8830190
2-(3-acetylpyridin-1-ium-1-yl)acetamide bromide
CID 23007435
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
1-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 8854105
1-(3-acetylpyridin-1-ium-1-yl)-3,3-dimethylbutan-2-one bromide
CID 56951921
N'-(2-fluorophenyl)propanediamide
CID 70002209
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide (CID 8831431) is 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide is CC(=O)c1ccc[n+](CC(=O)Nc2ccccc2F)c1.
What is the InChIKey of 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is DKIVFMRFWUQVJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13FN2O2/c1-11(19)12-5-4-8-18(9-12)10-15(20)17-14-7-3-2-6-13(14)16/h2-9H,10H2,1H3/p+1.
What are the key properties of 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide?
2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 273.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 8831431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).