2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C21H16F3N2O2+ — CID 8859319

IUPAC2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-4-5-9-18(17)25-19(27)14-26-12-10-16(11-13-26)20(28)15-6-2-1-3-7-15/h1-13H,14H2/p+1
InChIKeyXVPLPWMBIQZGSR-UHFFFAOYSA-O
MW385.37 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 8859319) has the molecular formula C21H16F3N2O2+ and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID8859319
Molecular FormulaC21H16F3N2O2+
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-4-5-9-18(17)25-19(27)14-26-12-10-16(11-13-26)20(28)15-6-2-1-3-7-15/h1-13H,14H2/p+1
InChIKeyXVPLPWMBIQZGSR-UHFFFAOYSA-O
XLogP3.86
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.86
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-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 100818949
2-isoquinolin-2-ium-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4130643
2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8876646
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
2-(2-methylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8827004
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] benzoate
CID 2517299
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8858863
1-(2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17255689
2-(4-phenylphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26087747
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
3,3-dimethyl-5-oxo-5-[2-(trifluoromethyl)anilino]pentanoic acid
CID 60699495

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 8859319) is 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XVPLPWMBIQZGSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)17-8-4-5-9-18(17)25-19(27)14-26-12-10-16(11-13-26)20(28)15-6-2-1-3-7-15/h1-13H,14H2/p+1.
What are the key properties of 2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 385.37 g/mol, XLogP of 3.86, 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-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8859319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).