2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C16H16F3N3O3 — CID 2113130

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)10-3-5-11(6-4-10)20-12(23)9-22-13(24)15(21-14(22)25)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,20,23)(H,21,25)
InChIKeyJXEFPMNITNLHML-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.51
Rot. Bonds3

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 2113130) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID2113130
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)10-3-5-11(6-4-10)20-12(23)9-22-13(24)15(21-14(22)25)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,20,23)(H,21,25)
InChIKeyJXEFPMNITNLHML-UHFFFAOYSA-N
XLogP2.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 2113130) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JXEFPMNITNLHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c17-16(18,19)10-3-5-11(6-4-10)20-12(23)9-22-13(24)15(21-14(22)25)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,20,23)(H,21,25).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 355.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2113130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).