2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide

C15H13Cl2N2O2+ — CID 8831367

IUPAC2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
SMILESCC(=O)c1ccc[n+](CC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H12Cl2N2O2/c1-10(20)11-4-3-7-19(8-11)9-14(21)18-13-6-2-5-12(16)15(13)17/h2-8H,9H2,1H3/p+1
InChIKeyQWZPOUFTXVBINV-UHFFFAOYSA-O
MW324.19 g/mol
LogP3.12
Rot. Bonds4

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

2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide (PubChem CID 8831367) has the molecular formula C15H13Cl2N2O2+ and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
PubChem CID8831367
Molecular FormulaC15H13Cl2N2O2+
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
SMILESCC(=O)c1ccc[n+](CC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H12Cl2N2O2/c1-10(20)11-4-3-7-19(8-11)9-14(21)18-13-6-2-5-12(16)15(13)17/h2-8H,9H2,1H3/p+1
InChIKeyQWZPOUFTXVBINV-UHFFFAOYSA-O
XLogP3.12
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.12
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-fluorophenyl)acetamide
CID 8831431
N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
CID 8831132
N'-(3-acetylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500714
2-(3-acetylpyridin-1-ium-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8831082
2-(3-acetylpyridin-1-ium-1-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 8831329
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide
CID 8831152
1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride
CID 18285363

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide (CID 8831367) is 2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide is CC(=O)c1ccc[n+](CC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is QWZPOUFTXVBINV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-10(20)11-4-3-7-19(8-11)9-14(21)18-13-6-2-5-12(16)15(13)17/h2-8H,9H2,1H3/p+1.
What are the key properties of 2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide?
2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 324.19 g/mol, XLogP of 3.12, 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-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 8831367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).