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

C14H18F3N3O3 — CID 2969407

IUPACN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)C1CC1
InChIInChI=1S/C14H18F3N3O3/c15-14(16,17)13(18-10(21)8-6-7-8)11(22)20(12(23)19-13)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,21)(H,19,23)
InChIKeyCJXQBJMGHVIKKS-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.66
Rot. Bonds3

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

N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (PubChem CID 2969407) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
PubChem CID2969407
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC NameN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)C1CC1
InChIInChI=1S/C14H18F3N3O3/c15-14(16,17)13(18-10(21)8-6-7-8)11(22)20(12(23)19-13)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,21)(H,19,23)
InChIKeyCJXQBJMGHVIKKS-UHFFFAOYSA-N
XLogP1.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.66
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-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (CID 2969407) is N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)C1CC1.
What is the InChIKey of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The InChIKey is CJXQBJMGHVIKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c15-14(16,17)13(18-10(21)8-6-7-8)11(22)20(12(23)19-13)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,21)(H,19,23).
What are the key properties of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide has a molecular weight of 333.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 2969407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).