2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide

C20H18FN3O3 — CID 22520390

IUPAC2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2ccn(CC(=O)Nc3ccc(F)cc3)c(=O)c2=O)cc1C
InChIInChI=1S/C20H18FN3O3/c1-13-3-8-17(11-14(13)2)24-10-9-23(19(26)20(24)27)12-18(25)22-16-6-4-15(21)5-7-16/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyVXYIEFSGDMKUPM-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.39
Rot. Bonds4

About 2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 22520390) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID22520390
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2ccn(CC(=O)Nc3ccc(F)cc3)c(=O)c2=O)cc1C
InChIInChI=1S/C20H18FN3O3/c1-13-3-8-17(11-14(13)2)24-10-9-23(19(26)20(24)27)12-18(25)22-16-6-4-15(21)5-7-16/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyVXYIEFSGDMKUPM-UHFFFAOYSA-N
XLogP2.39
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.39
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-(3,4-dimethylphenyl)-2-(2,3-dioxo-4-phenylpyrazin-1-yl)acetamide
CID 7183401
N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370146
2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22520493
N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591694
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18591691
N-(1,3-benzodioxol-5-yl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370128
2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide
CID 7286900
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 100744381
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methylphenyl)acetamide
CID 51370095
N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941833
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22520365
N-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]acetamide
CID 20931472

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 22520390) is 2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide is Cc1ccc(-n2ccn(CC(=O)Nc3ccc(F)cc3)c(=O)c2=O)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is VXYIEFSGDMKUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13-3-8-17(11-14(13)2)24-10-9-23(19(26)20(24)27)12-18(25)22-16-6-4-15(21)5-7-16/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 367.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 22520390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).