3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C14H14Cl2N2O2 — CID 13206499

IUPAC3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2/c15-9-6-10(16)8-11(7-9)18-12(19)14(17-13(18)20)4-2-1-3-5-14/h6-8H,1-5H2,(H,17,20)
InChIKeyGYWLJFOZPUIWDE-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.75
Rot. Bonds1

About 3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 13206499) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID13206499
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2/c15-9-6-10(16)8-11(7-9)18-12(19)14(17-13(18)20)4-2-1-3-5-14/h6-8H,1-5H2,(H,17,20)
InChIKeyGYWLJFOZPUIWDE-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione;methane
CID 143728934
3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107653741
3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 61289546
3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 58035722
10-(3,5-dichlorophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64961576
3-(3,5-dichlorophenyl)-5,5-diethylimidazolidine-2,4-dione
CID 21400632
3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 117062788
7-(3-aminophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81166900
4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(trifluoromethyl)benzonitrile
CID 18704219
7-[4-(aminomethyl)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81167433
9-(3-chloro-5-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107370938
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 13206499) is 3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GYWLJFOZPUIWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-9-6-10(16)8-11(7-9)18-12(19)14(17-13(18)20)4-2-1-3-5-14/h6-8H,1-5H2,(H,17,20).
What are the key properties of 3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 313.18 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 13206499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).