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

C12H16F3N3O3 — CID 2980567

IUPACN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
SMILESCN1C(=O)NC(NC(=O)C2CCCCC2)(C(F)(F)F)C1=O
InChIInChI=1S/C12H16F3N3O3/c1-18-9(20)11(12(13,14)15,17-10(18)21)16-8(19)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,16,19)(H,17,21)
InChIKeyFZVBVUPYFDZXRF-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.12
Rot. Bonds2

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

N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide (PubChem CID 2980567) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
PubChem CID2980567
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC NameN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
SMILESCN1C(=O)NC(NC(=O)C2CCCCC2)(C(F)(F)F)C1=O
InChIInChI=1S/C12H16F3N3O3/c1-18-9(20)11(12(13,14)15,17-10(18)21)16-8(19)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,16,19)(H,17,21)
InChIKeyFZVBVUPYFDZXRF-UHFFFAOYSA-N
XLogP1.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.12
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]cyclohexanecarboxamide?
The IUPAC name of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide (CID 2980567) is N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide is CN1C(=O)NC(NC(=O)C2CCCCC2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
The InChIKey is FZVBVUPYFDZXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-18-9(20)11(12(13,14)15,17-10(18)21)16-8(19)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,16,19)(H,17,21).
What are the key properties of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide has a molecular weight of 307.27 g/mol, XLogP of 1.12, 2 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]cyclohexanecarboxamide is sourced from PubChem (CID 2980567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).