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

C22H22FN3O3 — CID 95185758

IUPAC2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1
InChIInChI=1S/C22H22FN3O3/c1-14-4-7-17(8-5-14)16(3)24-20(27)13-25-10-11-26(22(29)21(25)28)19-12-18(23)9-6-15(19)2/h4-12,16H,13H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyGYCUCPGPSGCULJ-INIZCTEOSA-N
MW395.43 g/mol
LogP2.63
Rot. Bonds5

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

2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 95185758) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID95185758
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1
InChIInChI=1S/C22H22FN3O3/c1-14-4-7-17(8-5-14)16(3)24-20(27)13-25-10-11-26(22(29)21(25)28)19-12-18(23)9-6-15(19)2/h4-12,16H,13H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyGYCUCPGPSGCULJ-INIZCTEOSA-N
XLogP2.63
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.63
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
1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 7286860
N-(1,3-benzodioxol-5-yl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370128
N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370146
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetonitrile
CID 95917501
N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917512
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95126403
2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 51865491
2-[4-(3,4-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22520390
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1-oxo-2,6-naphthyridin-2-yl)acetamide
CID 176914610
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
CID 51369913

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 95185758) is 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1.
What is the InChIKey of 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is GYCUCPGPSGCULJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-14-4-7-17(8-5-14)16(3)24-20(27)13-25-10-11-26(22(29)21(25)28)19-12-18(23)9-6-15(19)2/h4-12,16H,13H2,1-3H3,(H,24,27)/t16-/m0/s1.
What are the key properties of 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 95185758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).