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

C18H13ClFN3O3 — CID 22520370

IUPAC2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)Nc1ccccc1F
InChIInChI=1S/C18H13ClFN3O3/c19-12-4-3-5-13(10-12)23-9-8-22(17(25)18(23)26)11-16(24)21-15-7-2-1-6-14(15)20/h1-10H,11H2,(H,21,24)
InChIKeyGRQDMZVBWDIVLV-UHFFFAOYSA-N
MW373.77 g/mol
LogP2.43
Rot. Bonds4

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

2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 22520370) has the molecular formula C18H13ClFN3O3 and a molecular weight of 373.77 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID22520370
Molecular FormulaC18H13ClFN3O3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC Name2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)Nc1ccccc1F
InChIInChI=1S/C18H13ClFN3O3/c19-12-4-3-5-13(10-12)23-9-8-22(17(25)18(23)26)11-16(24)21-15-7-2-1-6-14(15)20/h1-10H,11H2,(H,21,24)
InChIKeyGRQDMZVBWDIVLV-UHFFFAOYSA-N
XLogP2.43
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 22520370) is 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O)Nc1ccccc1F.
What is the InChIKey of 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is GRQDMZVBWDIVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O3/c19-12-4-3-5-13(10-12)23-9-8-22(17(25)18(23)26)11-16(24)21-15-7-2-1-6-14(15)20/h1-10H,11H2,(H,21,24).
What are the key properties of 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 373.77 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 22520370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).