2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H14F3N3O4 — CID 2663284

IUPAC2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCC(F)(F)F
InChIInChI=1S/C12H14F3N3O4/c13-12(14,15)6-16-8(19)5-17-9(20)10(21)18(11(17)22)7-3-1-2-4-7/h7H,1-6H2,(H,16,19)
InChIKeyHNBCIZZIWAFZPJ-UHFFFAOYSA-N
MW321.26 g/mol
LogP0.40
Rot. Bonds4

About 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2663284) has the molecular formula C12H14F3N3O4 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2663284
Molecular FormulaC12H14F3N3O4
Molecular Weight321.26 g/mol
Exact Mass321.09
IUPAC Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCC(F)(F)F
InChIInChI=1S/C12H14F3N3O4/c13-12(14,15)6-16-8(19)5-17-9(20)10(21)18(11(17)22)7-3-1-2-4-7/h7H,1-6H2,(H,16,19)
InChIKeyHNBCIZZIWAFZPJ-UHFFFAOYSA-N
XLogP0.40
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 50.40
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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Related Compounds

2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 122148902
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7756532
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2438857
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 2660754
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 34602255
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 8954804
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55547591
N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 8954797
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7043073
1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
CID 34603406
N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2560914
N-(2-benzoylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756202

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 2663284) is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCC(F)(F)F.
What is the InChIKey of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HNBCIZZIWAFZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O4/c13-12(14,15)6-16-8(19)5-17-9(20)10(21)18(11(17)22)7-3-1-2-4-7/h7H,1-6H2,(H,16,19).
What are the key properties of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 321.26 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2663284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).