N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide

C21H20ClN3O4 — CID 50928759

IUPACN-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCCOc1ccc(-n2ccn(CC(=O)Nc3c(C)cccc3Cl)c(=O)c2=O)cc1
InChIInChI=1S/C21H20ClN3O4/c1-3-29-16-9-7-15(8-10-16)25-12-11-24(20(27)21(25)28)13-18(26)23-19-14(2)5-4-6-17(19)22/h4-12H,3,13H2,1-2H3,(H,23,26)
InChIKeyIFDRMTJPQDQIBE-UHFFFAOYSA-N
MW413.86 g/mol
LogP3.00
Rot. Bonds6

About N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide

N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 50928759) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID50928759
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCCOc1ccc(-n2ccn(CC(=O)Nc3c(C)cccc3Cl)c(=O)c2=O)cc1
InChIInChI=1S/C21H20ClN3O4/c1-3-29-16-9-7-15(8-10-16)25-12-11-24(20(27)21(25)28)13-18(26)23-19-14(2)5-4-6-17(19)22/h4-12H,3,13H2,1-2H3,(H,23,26)
InChIKeyIFDRMTJPQDQIBE-UHFFFAOYSA-N
XLogP3.00
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30565937
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 30564683
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 22520325
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 50928766
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
CID 51369913
N-(2-bromo-4-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928763
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 50928754
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 51369909
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50928860
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928850
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928796
1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565230

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 50928759) is N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide is CCOc1ccc(-n2ccn(CC(=O)Nc3c(C)cccc3Cl)c(=O)c2=O)cc1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is IFDRMTJPQDQIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-3-29-16-9-7-15(8-10-16)25-12-11-24(20(27)21(25)28)13-18(26)23-19-14(2)5-4-6-17(19)22/h4-12H,3,13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 413.86 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 50928759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).