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

C13H16F3N3O3 — CID 2969317

IUPACN-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)C1CC1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)12(17-9(20)7-5-6-7)10(21)19(11(22)18-12)8-3-1-2-4-8/h7-8H,1-6H2,(H,17,20)(H,18,22)
InChIKeyKDYSNIUWJFKQFW-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.27
Rot. Bonds3

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

N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (PubChem CID 2969317) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
PubChem CID2969317
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)C1CC1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)12(17-9(20)7-5-6-7)10(21)19(11(22)18-12)8-3-1-2-4-8/h7-8H,1-6H2,(H,17,20)(H,18,22)
InChIKeyKDYSNIUWJFKQFW-UHFFFAOYSA-N
XLogP1.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.27
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-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (CID 2969317) is N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)C1CC1.
What is the InChIKey of N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The InChIKey is KDYSNIUWJFKQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c14-13(15,16)12(17-9(20)7-5-6-7)10(21)19(11(22)18-12)8-3-1-2-4-8/h7-8H,1-6H2,(H,17,20)(H,18,22).
What are the key properties of N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide has a molecular weight of 319.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 2969317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).