2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H15F4N3O3 — CID 167998424

IUPAC2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)C(=O)C1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F4N3O3/c20-12-5-7-13(8-6-12)26-10-9-25(17(28)18(26)29)11-16(27)24-15-4-2-1-3-14(15)19(21,22)23/h1-8H,9-11H2,(H,24,27)
InChIKeyGNEFQMGYWFFIOM-UHFFFAOYSA-N
MW409.34 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 167998424) has the molecular formula C19H15F4N3O3 and a molecular weight of 409.34 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID167998424
Molecular FormulaC19H15F4N3O3
Molecular Weight409.34 g/mol
Exact Mass409.10
IUPAC Name2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)C(=O)C1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H15F4N3O3/c20-12-5-7-13(8-6-12)26-10-9-25(17(28)18(26)29)11-16(27)24-15-4-2-1-3-14(15)19(21,22)23/h1-8H,9-11H2,(H,24,27)
InChIKeyGNEFQMGYWFFIOM-UHFFFAOYSA-N
XLogP2.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51340058
2-[[7-(4-fluorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18569927
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 98186401
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 53029131
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7190160
2-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 124713290
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27039812
2-(2-phenylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18137719

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 167998424) is 2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)C(=O)C1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GNEFQMGYWFFIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O3/c20-12-5-7-13(8-6-12)26-10-9-25(17(28)18(26)29)11-16(27)24-15-4-2-1-3-14(15)19(21,22)23/h1-8H,9-11H2,(H,24,27).
What are the key properties of 2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 409.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 167998424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).