2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C10H14F3N3O3 — CID 41089973

IUPAC2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)[C@@H]1NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C10H14F3N3O3/c1-5(2)7-8(18)16(9(19)15-7)3-6(17)14-4-10(11,12)13/h5,7H,3-4H2,1-2H3,(H,14,17)(H,15,19)/t7-/m0/s1
InChIKeyPTFCFPOXPZMCOH-ZETCQYMHSA-N
MW281.23 g/mol
LogP0.24
Rot. Bonds4

About 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 41089973) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID41089973
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)[C@@H]1NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C10H14F3N3O3/c1-5(2)7-8(18)16(9(19)15-7)3-6(17)14-4-10(11,12)13/h5,7H,3-4H2,1-2H3,(H,14,17)(H,15,19)/t7-/m0/s1
InChIKeyPTFCFPOXPZMCOH-ZETCQYMHSA-N
XLogP0.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 41089973) is 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)[C@@H]1NC(=O)N(CC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PTFCFPOXPZMCOH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-5(2)7-8(18)16(9(19)15-7)3-6(17)14-4-10(11,12)13/h5,7H,3-4H2,1-2H3,(H,14,17)(H,15,19)/t7-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.23 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 41089973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).