N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

C7H8F3N3O3 — CID 4213540

IUPACN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)NC(=O)N(C)C1=O
InChIInChI=1S/C7H8F3N3O3/c1-3(14)11-6(7(8,9)10)4(15)13(2)5(16)12-6/h1-2H3,(H,11,14)(H,12,16)
InChIKeyHOJGPCLXWCMWHA-UHFFFAOYSA-N
MW239.15 g/mol
LogP-0.44
Rot. Bonds1

About N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide (PubChem CID 4213540) has the molecular formula C7H8F3N3O3 and a molecular weight of 239.15 g/mol. Its IUPAC name is N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
PubChem CID4213540
Molecular FormulaC7H8F3N3O3
Molecular Weight239.15 g/mol
Exact Mass239.05
IUPAC NameN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)NC(=O)N(C)C1=O
InChIInChI=1S/C7H8F3N3O3/c1-3(14)11-6(7(8,9)10)4(15)13(2)5(16)12-6/h1-2H3,(H,11,14)(H,12,16)
InChIKeyHOJGPCLXWCMWHA-UHFFFAOYSA-N
XLogP-0.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide (CID 4213540) is N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide is CC(=O)NC1(C(F)(F)F)NC(=O)N(C)C1=O.
What is the InChIKey of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The InChIKey is HOJGPCLXWCMWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O3/c1-3(14)11-6(7(8,9)10)4(15)13(2)5(16)12-6/h1-2H3,(H,11,14)(H,12,16).
What are the key properties of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide has a molecular weight of 239.15 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 4213540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).