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

C16H18FN3O3 — CID 4596462

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3/c17-12-5-3-11(4-6-12)9-18-13(21)10-20-14(22)16(19-15(20)23)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,18,21)(H,19,23)
InChIKeyFHWLRVPVRBWRDW-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.31
Rot. Bonds4

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

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4596462) 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[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4596462
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3/c17-12-5-3-11(4-6-12)9-18-13(21)10-20-14(22)16(19-15(20)23)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,18,21)(H,19,23)
InChIKeyFHWLRVPVRBWRDW-UHFFFAOYSA-N
XLogP1.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.31
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

Ethotoin
CID 3292
Mephenytoin
CID 4060
Mephenytoin, (+)-
CID 107921
Phenylhydantoin
CID 1002
Methetoin
CID 21908
1-Benzylimidazolidine-2,4,5-trione
CID 562619
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
5-(Phenylmethyl)-2,4-imidazolidinedione
CID 73565
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
(5S)-5-benzylimidazolidine-2,4-dione
CID 703698
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 4596462) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is FHWLRVPVRBWRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-12-5-3-11(4-6-12)9-18-13(21)10-20-14(22)16(19-15(20)23)7-1-2-8-16/h3-6H,1-2,7-10H2,(H,18,21)(H,19,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 319.34 g/mol, XLogP of 1.31, 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[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4596462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).