10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

C15H16ClIN2O2 — CID 107640265

IUPAC10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(c2ccc(Cl)cc2I)C(=O)C2(CCCC2)N1
InChIInChI=1S/C15H16ClIN2O2/c16-10-3-4-12(11(17)9-10)19-8-5-13(20)18-15(14(19)21)6-1-2-7-15/h3-4,9H,1-2,5-8H2,(H,18,20)
InChIKeySDZNIIZGPBRTFH-UHFFFAOYSA-N
MW418.66 g/mol
LogP3.11
Rot. Bonds1

About 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 107640265) has the molecular formula C15H16ClIN2O2 and a molecular weight of 418.66 g/mol. Its IUPAC name is 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID107640265
Molecular FormulaC15H16ClIN2O2
Molecular Weight418.66 g/mol
Exact Mass417.99
IUPAC Name10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(c2ccc(Cl)cc2I)C(=O)C2(CCCC2)N1
InChIInChI=1S/C15H16ClIN2O2/c16-10-3-4-12(11(17)9-10)19-8-5-13(20)18-15(14(19)21)6-1-2-7-15/h3-4,9H,1-2,5-8H2,(H,18,20)
InChIKeySDZNIIZGPBRTFH-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'}

Analyze 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione with MolForge

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Related Compounds

4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107640300
10-(3,5-dichlorophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64961576
10-(2,4-difluorophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64957868
9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 79772565
1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione
CID 107640384
10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64963798
4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107604165
10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64956352
9-(4-chlorophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961297
3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 58035722
2-(4-chloro-2-iodophenyl)-2-azaspiro[3.4]octane
CID 107641023
11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64959626

Frequently Asked Questions

What is the IUPAC name of 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 107640265) is 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is O=C1CCN(c2ccc(Cl)cc2I)C(=O)C2(CCCC2)N1.
What is the InChIKey of 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is SDZNIIZGPBRTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN2O2/c16-10-3-4-12(11(17)9-10)19-8-5-13(20)18-15(14(19)21)6-1-2-7-15/h3-4,9H,1-2,5-8H2,(H,18,20).
What are the key properties of 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-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 10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 107640265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).