2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

C17H17F3N4O5 — CID 2525006

IUPAC2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C17H17F3N4O5/c1-3-23-14(27)15(28)24(16(23)29)9-13(26)22(2)8-12(25)21-11-7-5-4-6-10(11)17(18,19)20/h4-7H,3,8-9H2,1-2H3,(H,21,25)
InChIKeyYRROWRPYNHMKLA-UHFFFAOYSA-N
MW414.34 g/mol
LogP0.91
Rot. Bonds6

About 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (PubChem CID 2525006) has the molecular formula C17H17F3N4O5 and a molecular weight of 414.34 g/mol. Its IUPAC name is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
PubChem CID2525006
Molecular FormulaC17H17F3N4O5
Molecular Weight414.34 g/mol
Exact Mass414.12
IUPAC Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C17H17F3N4O5/c1-3-23-14(27)15(28)24(16(23)29)9-13(26)22(2)8-12(25)21-11-7-5-4-6-10(11)17(18,19)20/h4-7H,3,8-9H2,1-2H3,(H,21,25)
InChIKeyYRROWRPYNHMKLA-UHFFFAOYSA-N
XLogP0.91
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The IUPAC name of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (CID 2525006) is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The InChIKey is YRROWRPYNHMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O5/c1-3-23-14(27)15(28)24(16(23)29)9-13(26)22(2)8-12(25)21-11-7-5-4-6-10(11)17(18,19)20/h4-7H,3,8-9H2,1-2H3,(H,21,25).
What are the key properties of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide has a molecular weight of 414.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is sourced from PubChem (CID 2525006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).