N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide

C13H14F3N3O4 — CID 664405

IUPACN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESCC(C)CN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O
InChIInChI=1S/C13H14F3N3O4/c1-7(2)6-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyCGVJGVZVCFPSHW-UHFFFAOYSA-N
MW333.27 g/mol
LogP1.48
Rot. Bonds4

About N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide

N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (PubChem CID 664405) has the molecular formula C13H14F3N3O4 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
PubChem CID664405
Molecular FormulaC13H14F3N3O4
Molecular Weight333.27 g/mol
Exact Mass333.09
IUPAC NameN-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESCC(C)CN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O
InChIInChI=1S/C13H14F3N3O4/c1-7(2)6-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyCGVJGVZVCFPSHW-UHFFFAOYSA-N
XLogP1.48
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 51.48
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 N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (CID 664405) is N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is CC(C)CN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The InChIKey is CGVJGVZVCFPSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O4/c1-7(2)6-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide has a molecular weight of 333.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 664405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).