2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

C18H22FN3O3 — CID 2390289

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O3/c19-14-7-5-13(6-8-14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-3-1-2-4-10-18/h5-8H,1-4,9-12H2,(H,20,23)(H,21,25)
InChIKeySFBSFJZUZKGSNZ-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.09
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2390289) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2390289
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O3/c19-14-7-5-13(6-8-14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-3-1-2-4-10-18/h5-8H,1-4,9-12H2,(H,20,23)(H,21,25)
InChIKeySFBSFJZUZKGSNZ-UHFFFAOYSA-N
XLogP2.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.09
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[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]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[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 2390289) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is SFBSFJZUZKGSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c19-14-7-5-13(6-8-14)11-20-15(23)12-22-16(24)18(21-17(22)25)9-3-1-2-4-10-18/h5-8H,1-4,9-12H2,(H,20,23)(H,21,25).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 2.09, 4 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[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2390289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).