2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

C19H16FN3O3 — CID 95921594

IUPAC2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1ccn(-c2ccccc2)c(=O)c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O3/c20-15-8-6-14(7-9-15)12-21-17(24)13-22-10-11-23(19(26)18(22)25)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,24)
InChIKeyNPUWRAHEIYXXJM-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.45
Rot. Bonds5

About 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 95921594) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID95921594
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1ccn(-c2ccccc2)c(=O)c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O3/c20-15-8-6-14(7-9-15)12-21-17(24)13-22-10-11-23(19(26)18(22)25)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,24)
InChIKeyNPUWRAHEIYXXJM-UHFFFAOYSA-N
XLogP1.45
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30564325
1-[2-(4-fluorophenyl)-2-oxoethyl]-4-phenylpyrazine-2,3-dione
CID 6625633
2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6625783
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 22520314
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 32923314
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 110082547
ethyl 2-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149417
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4287057
N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide
CID 3336665

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 95921594) is 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cn1ccn(-c2ccccc2)c(=O)c1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is NPUWRAHEIYXXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-15-8-6-14(7-9-15)12-21-17(24)13-22-10-11-23(19(26)18(22)25)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,24).
What are the key properties of 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 353.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 95921594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).