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

C23H24FN3O3 — CID 51370146

IUPACN-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1
InChIInChI=1S/C23H24FN3O3/c1-3-4-5-17-7-10-19(11-8-17)25-21(28)15-26-12-13-27(23(30)22(26)29)20-14-18(24)9-6-16(20)2/h6-14H,3-5,15H2,1-2H3,(H,25,28)
InChIKeyNQUSHOVKBJSGDK-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.43
Rot. Bonds7

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

N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 51370146) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID51370146
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1
InChIInChI=1S/C23H24FN3O3/c1-3-4-5-17-7-10-19(11-8-17)25-21(28)15-26-12-13-27(23(30)22(26)29)20-14-18(24)9-6-16(20)2/h6-14H,3-5,15H2,1-2H3,(H,25,28)
InChIKeyNQUSHOVKBJSGDK-UHFFFAOYSA-N
XLogP3.43
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.43
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

2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methylphenyl)acetamide
CID 51370095
N-(1,3-benzodioxol-5-yl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370128
2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22520390
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51370139
N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917512
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95185758
2-[4-(2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30565603
1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 7286860
N-(3,4-dimethylphenyl)-2-(2,3-dioxo-4-phenylpyrazin-1-yl)acetamide
CID 7183401
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetonitrile
CID 95917501
N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369121
N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide
CID 100739255

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 51370146) is N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is CCCCc1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is NQUSHOVKBJSGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-3-4-5-17-7-10-19(11-8-17)25-21(28)15-26-12-13-27(23(30)22(26)29)20-14-18(24)9-6-16(20)2/h6-14H,3-5,15H2,1-2H3,(H,25,28).
What are the key properties of N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 409.46 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 51370146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).