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

C16H18FN3O3 — CID 2078174

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3/c17-11-4-6-12(7-5-11)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)
InChIKeyBMMNTSMHHGMEAL-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.02
Rot. Bonds3

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

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 2078174) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
PubChem CID2078174
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3/c17-11-4-6-12(7-5-11)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)
InChIKeyBMMNTSMHHGMEAL-UHFFFAOYSA-N
XLogP2.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.02
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 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide (CID 2078174) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is BMMNTSMHHGMEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-11-4-6-12(7-5-11)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 319.34 g/mol, XLogP of 2.02, 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[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2078174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).