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

C19H16ClN3O4 — CID 22520365

IUPAC2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccn(-c3cccc(Cl)c3)c(=O)c2=O)cc1
InChIInChI=1S/C19H16ClN3O4/c1-27-16-7-5-14(6-8-16)21-17(24)12-22-9-10-23(19(26)18(22)25)15-4-2-3-13(20)11-15/h2-11H,12H2,1H3,(H,21,24)
InChIKeyNBNWLOAURNXNRO-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.30
Rot. Bonds5

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

2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 22520365) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID22520365
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccn(-c3cccc(Cl)c3)c(=O)c2=O)cc1
InChIInChI=1S/C19H16ClN3O4/c1-27-16-7-5-14(6-8-16)21-17(24)12-22-9-10-23(19(26)18(22)25)15-4-2-3-13(20)11-15/h2-11H,12H2,1H3,(H,21,24)
InChIKeyNBNWLOAURNXNRO-UHFFFAOYSA-N
XLogP2.30
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 22520365) is 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ccn(-c3cccc(Cl)c3)c(=O)c2=O)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is NBNWLOAURNXNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-27-16-7-5-14(6-8-16)21-17(24)12-22-9-10-23(19(26)18(22)25)15-4-2-3-13(20)11-15/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 385.81 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 22520365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).