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

C22H22FN3O3 — CID 95917512

IUPACN-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O
InChIInChI=1S/C22H22FN3O3/c1-3-24(14-17-7-5-4-6-8-17)20(27)15-25-11-12-26(22(29)21(25)28)19-13-18(23)10-9-16(19)2/h4-13H,3,14-15H2,1-2H3
InChIKeyXGZMVBPHZCUXFM-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.50
Rot. Bonds6

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

N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 95917512) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID95917512
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O
InChIInChI=1S/C22H22FN3O3/c1-3-24(14-17-7-5-4-6-8-17)20(27)15-25-11-12-26(22(29)21(25)28)19-13-18(23)10-9-16(19)2/h4-13H,3,14-15H2,1-2H3
InChIKeyXGZMVBPHZCUXFM-UHFFFAOYSA-N
XLogP2.50
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide
CID 95917583
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methylphenyl)acetamide
CID 51370095
N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370146
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
CID 51370071
1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 7286860
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetonitrile
CID 95917501
N-benzyl-N-ethyl-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195747
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 95095383
N-(1,3-benzodioxol-5-yl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370128
N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
CID 55304749
N-benzyl-N-ethyl-2-[3-[(3-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 45030352

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 95917512) is N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is CCN(Cc1ccccc1)C(=O)Cn1ccn(-c2cc(F)ccc2C)c(=O)c1=O.
What is the InChIKey of N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is XGZMVBPHZCUXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-3-24(14-17-7-5-4-6-8-17)20(27)15-25-11-12-26(22(29)21(25)28)19-13-18(23)10-9-16(19)2/h4-13H,3,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 95917512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).