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

C19H15ClFN3O4 — CID 7286907

IUPAC2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(-n2ccn(CC(=O)Nc3ccccc3F)c(=O)c2=O)cc1Cl
InChIInChI=1S/C19H15ClFN3O4/c1-28-16-7-6-12(10-13(16)20)24-9-8-23(18(26)19(24)27)11-17(25)22-15-5-3-2-4-14(15)21/h2-10H,11H2,1H3,(H,22,25)
InChIKeyACDLFIGJMWPRLO-UHFFFAOYSA-N
MW403.80 g/mol
LogP2.44
Rot. Bonds5

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

2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 7286907) has the molecular formula C19H15ClFN3O4 and a molecular weight of 403.80 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID7286907
Molecular FormulaC19H15ClFN3O4
Molecular Weight403.80 g/mol
Exact Mass403.07
IUPAC Name2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCOc1ccc(-n2ccn(CC(=O)Nc3ccccc3F)c(=O)c2=O)cc1Cl
InChIInChI=1S/C19H15ClFN3O4/c1-28-16-7-6-12(10-13(16)20)24-9-8-23(18(26)19(24)27)11-17(25)22-15-5-3-2-4-14(15)21/h2-10H,11H2,1H3,(H,22,25)
InChIKeyACDLFIGJMWPRLO-UHFFFAOYSA-N
XLogP2.44
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 7286907) is 2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide is COc1ccc(-n2ccn(CC(=O)Nc3ccccc3F)c(=O)c2=O)cc1Cl.
What is the InChIKey of 2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is ACDLFIGJMWPRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O4/c1-28-16-7-6-12(10-13(16)20)24-9-8-23(18(26)19(24)27)11-17(25)22-15-5-3-2-4-14(15)21/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of 2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 403.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 7286907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).