2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C20H16F3N2O+ — CID 8876646

IUPAC2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[n+]1cccc(-c2ccccc2)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)17-10-4-5-11-18(17)24-19(26)14-25-12-6-9-16(13-25)15-7-2-1-3-8-15/h1-13H,14H2/p+1
InChIKeyVWJXUHLNXPIHIH-UHFFFAOYSA-O
MW357.36 g/mol
LogP4.30
Rot. Bonds4

About 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 8876646) has the molecular formula C20H16F3N2O+ and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID8876646
Molecular FormulaC20H16F3N2O+
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[n+]1cccc(-c2ccccc2)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)17-10-4-5-11-18(17)24-19(26)14-25-12-6-9-16(13-25)15-7-2-1-3-8-15/h1-13H,14H2/p+1
InChIKeyVWJXUHLNXPIHIH-UHFFFAOYSA-O
XLogP4.30
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.30
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-isoquinolin-2-ium-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4130643
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8859319
2-(4-phenylphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26087747
2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 100818949
2-(2-methylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8827004
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide
CID 8876238
N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876592
trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
CID 91759481
N-[4-[(2R)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876594
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 8876646) is 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(C[n+]1cccc(-c2ccccc2)c1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VWJXUHLNXPIHIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H15F3N2O/c21-20(22,23)17-10-4-5-11-18(17)24-19(26)14-25-12-6-9-16(13-25)15-7-2-1-3-8-15/h1-13H,14H2/p+1.
What are the key properties of 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 357.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8876646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).