2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C9H12F3N3O4 — CID 103915495

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O4/c10-9(11,12)5-14(1-2-16)7(18)4-15-6(17)3-13-8(15)19/h16H,1-5H2,(H,13,19)
InChIKeySCBJSPLYBYNRQJ-UHFFFAOYSA-N
MW283.21 g/mol
LogP-1.08
Rot. Bonds5

About 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915495) has the molecular formula C9H12F3N3O4 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103915495
Molecular FormulaC9H12F3N3O4
Molecular Weight283.21 g/mol
Exact Mass283.08
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O4/c10-9(11,12)5-14(1-2-16)7(18)4-15-6(17)3-13-8(15)19/h16H,1-5H2,(H,13,19)
InChIKeySCBJSPLYBYNRQJ-UHFFFAOYSA-N
XLogP-1.08
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 103915495) is 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)CNC1=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SCBJSPLYBYNRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O4/c10-9(11,12)5-14(1-2-16)7(18)4-15-6(17)3-13-8(15)19/h16H,1-5H2,(H,13,19).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 283.21 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).