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

C14H12F3N3O4 — CID 7824132

IUPAC2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H12F3N3O4/c1-2-19-11(22)12(23)20(13(19)24)7-10(21)18-9-5-3-4-8(6-9)14(15,16)17/h3-6H,2,7H2,1H3,(H,18,21)
InChIKeyAMOBNOVMAGLECB-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.45
Rot. Bonds4

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

2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7824132) has the molecular formula C14H12F3N3O4 and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7824132
Molecular FormulaC14H12F3N3O4
Molecular Weight343.26 g/mol
Exact Mass343.08
IUPAC Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H12F3N3O4/c1-2-19-11(22)12(23)20(13(19)24)7-10(21)18-9-5-3-4-8(6-9)14(15,16)17/h3-6H,2,7H2,1H3,(H,18,21)
InChIKeyAMOBNOVMAGLECB-UHFFFAOYSA-N
XLogP1.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 7824132) is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AMOBNOVMAGLECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4/c1-2-19-11(22)12(23)20(13(19)24)7-10(21)18-9-5-3-4-8(6-9)14(15,16)17/h3-6H,2,7H2,1H3,(H,18,21).
What are the key properties of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 343.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7824132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).