2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C21H20FN3O4 — CID 51370139

IUPAC2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O
InChIInChI=1S/C21H20FN3O4/c1-13-4-7-18(29-3)16(10-13)23-19(26)12-24-8-9-25(21(28)20(24)27)17-11-15(22)6-5-14(17)2/h4-11H,12H2,1-3H3,(H,23,26)
InChIKeyMODJMHCACJKJCM-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.40
Rot. Bonds5

About 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 51370139) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID51370139
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O
InChIInChI=1S/C21H20FN3O4/c1-13-4-7-18(29-3)16(10-13)23-19(26)12-24-8-9-25(21(28)20(24)27)17-11-15(22)6-5-14(17)2/h4-11H,12H2,1-3H3,(H,23,26)
InChIKeyMODJMHCACJKJCM-UHFFFAOYSA-N
XLogP2.40
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.40
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-(2,5-dimethylphenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 7286929
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methylphenyl)acetamide
CID 51370095
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95185758
N-(1,3-benzodioxol-5-yl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370128
1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 7286860
N-(2,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520431
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
CID 95917526
N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928900
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 22520314
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928796
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
N-(2,4-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520414

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 51370139) is 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O.
What is the InChIKey of 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is MODJMHCACJKJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c1-13-4-7-18(29-3)16(10-13)23-19(26)12-24-8-9-25(21(28)20(24)27)17-11-15(22)6-5-14(17)2/h4-11H,12H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 397.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 51370139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).