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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Related Compounds

1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 70556
Aldumastat
CID 121448788
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(p-fluorophenyl)butyl)-1-phenyl-
CID 120580
3,4-Difluoro-N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-YL]ethyl}benzamide
CID 53393916
N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4916632
N-(4-fluorophenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4916634
2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2388085
1,3,5-Triphenylimidazolidine-2,4-dione
CID 11609579
N-(cyclohexylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 2078434
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-phenylacetamide
CID 2413323
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 2468313

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).