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

C20H18ClN3O4 — CID 30565945

IUPACN-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCCOc1ccccc1-n1ccn(CC(=O)Nc2cccc(Cl)c2)c(=O)c1=O
InChIInChI=1S/C20H18ClN3O4/c1-2-28-17-9-4-3-8-16(17)24-11-10-23(19(26)20(24)27)13-18(25)22-15-7-5-6-14(21)12-15/h3-12H,2,13H2,1H3,(H,22,25)
InChIKeyXUINHSAUQRODSC-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.69
Rot. Bonds6

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

N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 30565945) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID30565945
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC NameN-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCCOc1ccccc1-n1ccn(CC(=O)Nc2cccc(Cl)c2)c(=O)c1=O
InChIInChI=1S/C20H18ClN3O4/c1-2-28-17-9-4-3-8-16(17)24-11-10-23(19(26)20(24)27)13-18(25)22-15-7-5-6-14(21)12-15/h3-12H,2,13H2,1H3,(H,22,25)
InChIKeyXUINHSAUQRODSC-UHFFFAOYSA-N
XLogP2.69
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928900
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928850
N-(3-chlorophenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30565937
N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928878
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50928860
N-butyl-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917475
2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 50928871
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 30564683
N-(3-chlorophenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906489
2-[4-(3-chlorophenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22520365
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928796
N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide
CID 109037963

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 30565945) is N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide is CCOc1ccccc1-n1ccn(CC(=O)Nc2cccc(Cl)c2)c(=O)c1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is XUINHSAUQRODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-2-28-17-9-4-3-8-16(17)24-11-10-23(19(26)20(24)27)13-18(25)22-15-7-5-6-14(21)12-15/h3-12H,2,13H2,1H3,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 399.83 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 30565945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).