3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C15H15F2N3O2 — CID 2643568

IUPAC3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1c(F)cccc1F
InChIInChI=1S/C15H15F2N3O2/c16-11-5-4-6-12(17)10(11)9-18-20-13(21)15(19-14(20)22)7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,19,22)
InChIKeyFLOAYTOUDKNBQB-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.55
Rot. Bonds2

About 3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2643568) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2643568
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1c(F)cccc1F
InChIInChI=1S/C15H15F2N3O2/c16-11-5-4-6-12(17)10(11)9-18-20-13(21)15(19-14(20)22)7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,19,22)
InChIKeyFLOAYTOUDKNBQB-UHFFFAOYSA-N
XLogP2.55
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 6907279
5-ethyl-5-methyl-3-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 16293573
5-ethyl-5-methyl-3-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]imidazolidine-2,4-dione
CID 16292933
5-Ethyl-5-methyl-3-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 72035009
3-[(4-Methylbenzylidene)amino]-5-propylimidazolidine-2,4-dione
CID 155292888
3-[(2-Chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643512
3-[[4-(Trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643524
3-[(2,4-Difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643525
3-[[2-(Trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643528
3-[[3-(Trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643543
3-[(2-Fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643547
3-[(3-Fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643548

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2643568) is 3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1N=Cc1c(F)cccc1F.
What is the InChIKey of 3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FLOAYTOUDKNBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-11-5-4-6-12(17)10(11)9-18-20-13(21)15(19-14(20)22)7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,19,22).
What are the key properties of 3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 307.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2643568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).