2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide

C15H16FN3O4 — CID 91891694

IUPAC2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccccc1F
InChIInChI=1S/C15H16FN3O4/c16-10-3-1-2-4-11(10)17-12(20)9-19-13(21)15(18-14(19)22)5-7-23-8-6-15/h1-4H,5-9H2,(H,17,20)(H,18,22)
InChIKeyUPIJHKCWBCIMES-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.87
Rot. Bonds3

About 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide

2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 91891694) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide
PubChem CID91891694
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccccc1F
InChIInChI=1S/C15H16FN3O4/c16-10-3-1-2-4-11(10)17-12(20)9-19-13(21)15(18-14(19)22)5-7-23-8-6-15/h1-4H,5-9H2,(H,17,20)(H,18,22)
InChIKeyUPIJHKCWBCIMES-UHFFFAOYSA-N
XLogP0.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide (CID 91891694) is 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide is O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1ccccc1F.
What is the InChIKey of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is UPIJHKCWBCIMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c16-10-3-1-2-4-11(10)17-12(20)9-19-13(21)15(18-14(19)22)5-7-23-8-6-15/h1-4H,5-9H2,(H,17,20)(H,18,22).
What are the key properties of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide?
2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 321.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 91891694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).