N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide

C15H14F3N3O3 — CID 5188385

IUPACN-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESCc1ccc(N2C(=O)NC(NC(=O)C3CC3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C15H14F3N3O3/c1-8-2-6-10(7-3-8)21-12(23)14(15(16,17)18,20-13(21)24)19-11(22)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,19,22)(H,20,24)
InChIKeyVHAUFDHWOCXGJD-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.84
Rot. Bonds3

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

N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (PubChem CID 5188385) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
PubChem CID5188385
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC NameN-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESCc1ccc(N2C(=O)NC(NC(=O)C3CC3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C15H14F3N3O3/c1-8-2-6-10(7-3-8)21-12(23)14(15(16,17)18,20-13(21)24)19-11(22)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,19,22)(H,20,24)
InChIKeyVHAUFDHWOCXGJD-UHFFFAOYSA-N
XLogP1.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.84
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-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (CID 5188385) is N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is Cc1ccc(N2C(=O)NC(NC(=O)C3CC3)(C(F)(F)F)C2=O)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The InChIKey is VHAUFDHWOCXGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-8-2-6-10(7-3-8)21-12(23)14(15(16,17)18,20-13(21)24)19-11(22)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide has a molecular weight of 341.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 5188385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).