3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H17FN2O3 — CID 3584642

IUPAC3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCOc1ccccc1F
InChIInChI=1S/C15H17FN2O3/c16-11-5-1-2-6-12(11)21-10-9-18-13(19)15(17-14(18)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,20)
InChIKeyLCRFKVJNXXHAQM-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.07
Rot. Bonds4

About 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 3584642) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID3584642
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCOc1ccccc1F
InChIInChI=1S/C15H17FN2O3/c16-11-5-1-2-6-12(11)21-10-9-18-13(19)15(17-14(18)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,20)
InChIKeyLCRFKVJNXXHAQM-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-3-[2-(2-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4881528
5,5-dibenzyl-3-[2-(2-fluorophenoxy)ethyl]imidazolidine-2,4-dione
CID 17394454
3-[2-(2,6-dichlorophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610121
2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 934440
3-[2-(2-fluorophenoxy)ethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815465
3-[2-(4-bromophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622476
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43365740
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide
CID 18120004
3-[(4S)-1-[2-(2-fluorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 52514833
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 27845838

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 3584642) is 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CCOc1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LCRFKVJNXXHAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-11-5-1-2-6-12(11)21-10-9-18-13(19)15(17-14(18)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,20).
What are the key properties of 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 292.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 3584642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).