4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H16ClIN2O2 — CID 107640300

IUPAC4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(c2ccc(Cl)cc2I)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C15H16ClIN2O2/c16-10-4-5-12(11(17)8-10)19-9-13(20)18-15(14(19)21)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,18,20)
InChIKeyLBPDDUSXTOZLOH-UHFFFAOYSA-N
MW418.66 g/mol
LogP3.11
Rot. Bonds1

About 4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 107640300) has the molecular formula C15H16ClIN2O2 and a molecular weight of 418.66 g/mol. Its IUPAC name is 4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID107640300
Molecular FormulaC15H16ClIN2O2
Molecular Weight418.66 g/mol
Exact Mass417.99
IUPAC Name4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(c2ccc(Cl)cc2I)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C15H16ClIN2O2/c16-10-4-5-12(11(17)8-10)19-9-13(20)18-15(14(19)21)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,18,20)
InChIKeyLBPDDUSXTOZLOH-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.66
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 107640265
9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 79772565
4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107604165
1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione
CID 107640384
9-(4-chlorophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961297
9-(2-chloro-5-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107640189
4-(3,4-dichlorophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64961192
4-(4-chloro-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64964846
3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 58035722
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64959075
9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961639
2-(4-chloro-2-iodophenyl)-2-azaspiro[3.4]octane
CID 107641023

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 107640300) is 4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(c2ccc(Cl)cc2I)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is LBPDDUSXTOZLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN2O2/c16-10-4-5-12(11(17)8-10)19-9-13(20)18-15(14(19)21)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,18,20).
What are the key properties of 4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 418.66 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 107640300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).