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

C15H14F3N3O3 — CID 2109538

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3N3O3/c16-8-3-4-9(12(18)11(8)17)19-10(22)7-21-13(23)15(20-14(21)24)5-1-2-6-15/h3-4H,1-2,5-7H2,(H,19,22)(H,20,24)
InChIKeyMGUMCROLSOBBPE-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.91
Rot. Bonds3

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

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2109538) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2109538
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3N3O3/c16-8-3-4-9(12(18)11(8)17)19-10(22)7-21-13(23)15(20-14(21)24)5-1-2-6-15/h3-4H,1-2,5-7H2,(H,19,22)(H,20,24)
InChIKeyMGUMCROLSOBBPE-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 2109538) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is MGUMCROLSOBBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c16-8-3-4-9(12(18)11(8)17)19-10(22)7-21-13(23)15(20-14(21)24)5-1-2-6-15/h3-4H,1-2,5-7H2,(H,19,22)(H,20,24).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 341.29 g/mol, XLogP of 1.91, 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-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2109538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).