2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide

C20H15ClFN2O2+ — CID 8859201

IUPAC2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H14ClFN2O2/c21-16-6-7-18(17(22)12-16)23-19(25)13-24-10-8-15(9-11-24)20(26)14-4-2-1-3-5-14/h1-12H,13H2/p+1
InChIKeyUJSCPSDDDYHQQG-UHFFFAOYSA-O
MW369.80 g/mol
LogP3.64
Rot. Bonds5

About 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide

2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide (PubChem CID 8859201) has the molecular formula C20H15ClFN2O2+ and a molecular weight of 369.80 g/mol. Its IUPAC name is 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
PubChem CID8859201
Molecular FormulaC20H15ClFN2O2+
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC Name2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H14ClFN2O2/c21-16-6-7-18(17(22)12-16)23-19(25)13-24-10-8-15(9-11-24)20(26)14-4-2-1-3-5-14/h1-12H,13H2/p+1
InChIKeyUJSCPSDDDYHQQG-UHFFFAOYSA-O
XLogP3.64
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 53.64
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-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide
CID 7529013
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8859319
N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
CID 126958727
2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8859223
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8858863
N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 4624473
N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide
CID 19993656
benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
2-(4-benzylpyridin-1-ium-1-yl)-N-(5-chloro-2-nitrophenyl)acetamide
CID 8859525
N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide (CID 8859201) is 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide is O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide?
The InChIKey is UJSCPSDDDYHQQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H14ClFN2O2/c21-16-6-7-18(17(22)12-16)23-19(25)13-24-10-8-15(9-11-24)20(26)14-4-2-1-3-5-14/h1-12H,13H2/p+1.
What are the key properties of 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide?
2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide has a molecular weight of 369.80 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 8859201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).