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

C19H15ClFN3O3 — CID 7286900

IUPAC2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccn(-c3ccc(F)c(Cl)c3)c(=O)c2=O)c1
InChIInChI=1S/C19H15ClFN3O3/c1-12-3-2-4-13(9-12)22-17(25)11-23-7-8-24(19(27)18(23)26)14-5-6-16(21)15(20)10-14/h2-10H,11H2,1H3,(H,22,25)
InChIKeyCBJUXTHCKJERRV-UHFFFAOYSA-N
MW387.80 g/mol
LogP2.74
Rot. Bonds4

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

2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 7286900) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID7286900
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccn(-c3ccc(F)c(Cl)c3)c(=O)c2=O)c1
InChIInChI=1S/C19H15ClFN3O3/c1-12-3-2-4-13(9-12)22-17(25)11-23-7-8-24(19(27)18(23)26)14-5-6-16(21)15(20)10-14/h2-10H,11H2,1H3,(H,22,25)
InChIKeyCBJUXTHCKJERRV-UHFFFAOYSA-N
XLogP2.74
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 52.74
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-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591694
N-(3-chlorophenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30565937
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 22520370
2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22520493
2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22520390
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22520365
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 18579432
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
N-(3,4-dimethylphenyl)-2-(2,3-dioxo-4-phenylpyrazin-1-yl)acetamide
CID 7183401
N-(3-chlorophenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906489

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide (CID 7286900) is 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2ccn(-c3ccc(F)c(Cl)c3)c(=O)c2=O)c1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is CBJUXTHCKJERRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-12-3-2-4-13(9-12)22-17(25)11-23-7-8-24(19(27)18(23)26)14-5-6-16(21)15(20)10-14/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 387.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 7286900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).