2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide

C20H17N2O2+ — CID 7529013

IUPAC2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19(21-18-9-5-2-6-10-18)15-22-13-11-17(12-14-22)20(24)16-7-3-1-4-8-16/h1-14H,15H2/p+1
InChIKeyJEZAAIOXRDKFRO-UHFFFAOYSA-O
MW317.37 g/mol
LogP2.84
Rot. Bonds5

About 2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide

2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide (PubChem CID 7529013) has the molecular formula C20H17N2O2+ and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide
PubChem CID7529013
Molecular FormulaC20H17N2O2+
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-19(21-18-9-5-2-6-10-18)15-22-13-11-17(12-14-22)20(24)16-7-3-1-4-8-16/h1-14H,15H2/p+1
InChIKeyJEZAAIOXRDKFRO-UHFFFAOYSA-O
XLogP2.84
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.84
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

N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8858863
2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8859223
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8859319
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid bromide
CID 11473169
2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
CID 8859201
2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 8859063
N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 4178019
N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 3623487
2-(3-methylpyridin-1-ium-1-yl)-N-phenylacetamide bromide
CID 21176144
2-(4-methylpyridin-1-ium-1-yl)-N-[4-[4-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]phenyl]phenyl]acetamide dibromide
CID 156583193

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide (CID 7529013) is 2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide is O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1.
What is the InChIKey of 2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide?
The InChIKey is JEZAAIOXRDKFRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H16N2O2/c23-19(21-18-9-5-2-6-10-18)15-22-13-11-17(12-14-22)20(24)16-7-3-1-4-8-16/h1-14H,15H2/p+1.
What are the key properties of 2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide?
2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide has a molecular weight of 317.37 g/mol, XLogP of 2.84, 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-phenylacetamide is sourced from PubChem (CID 7529013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).