2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide

C22H19FN3O3+ — CID 8858863

IUPAC2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O3/c23-18-6-8-19(9-7-18)25-20(27)14-24-21(28)15-26-12-10-17(11-13-26)22(29)16-4-2-1-3-5-16/h1-13H,14-15H2,(H-,24,25,27,28)/p+1
InChIKeyJLEXBZMBGGLYOC-UHFFFAOYSA-O
MW392.41 g/mol
LogP2.10
Rot. Bonds7

About 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide

2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 8858863) has the molecular formula C22H19FN3O3+ and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID8858863
Molecular FormulaC22H19FN3O3+
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O3/c23-18-6-8-19(9-7-18)25-20(27)14-24-21(28)15-26-12-10-17(11-13-26)22(29)16-4-2-1-3-5-16/h1-13H,14-15H2,(H-,24,25,27,28)/p+1
InChIKeyJLEXBZMBGGLYOC-UHFFFAOYSA-O
XLogP2.10
TPSA79.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526
2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8859223
2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
CID 8859201
2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5192936
N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 3623487
N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 4178019
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 8578945

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 8858863) is 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide is O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is JLEXBZMBGGLYOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H18FN3O3/c23-18-6-8-19(9-7-18)25-20(27)14-24-21(28)15-26-12-10-17(11-13-26)22(29)16-4-2-1-3-5-16/h1-13H,14-15H2,(H-,24,25,27,28)/p+1.
What are the key properties of 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 392.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8858863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).