9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C14H12ClIN2O3 — CID 107605004

IUPAC9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCC2)C(=O)N1c1ccc(I)cc1Cl
InChIInChI=1S/C14H12ClIN2O3/c15-9-7-8(16)3-4-10(9)18-12(20)14(5-1-2-6-14)11(19)17-13(18)21/h3-4,7H,1-2,5-6H2,(H,17,19,21)
InChIKeyLGXBQZWRYUFMLX-UHFFFAOYSA-N
MW418.62 g/mol
LogP3.09
Rot. Bonds1

About 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 107605004) has the molecular formula C14H12ClIN2O3 and a molecular weight of 418.62 g/mol. Its IUPAC name is 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID107605004
Molecular FormulaC14H12ClIN2O3
Molecular Weight418.62 g/mol
Exact Mass417.96
IUPAC Name9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCC2)C(=O)N1c1ccc(I)cc1Cl
InChIInChI=1S/C14H12ClIN2O3/c15-9-7-8(16)3-4-10(9)18-12(20)14(5-1-2-6-14)11(19)17-13(18)21/h3-4,7H,1-2,5-6H2,(H,17,19,21)
InChIKeyLGXBQZWRYUFMLX-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.62
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-chloro-4-iodophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 107604998
7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599175
9-(2,3-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115946527
3-chloro-4-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)benzonitrile
CID 107810702
9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948372
9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115945669
7-(5-chloro-2-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599284
8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598235
8-(3-bromo-4-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948707
4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107604165
8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948865
8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946867

Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 107605004) is 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is O=C1NC(=O)C2(CCCC2)C(=O)N1c1ccc(I)cc1Cl.
What is the InChIKey of 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is LGXBQZWRYUFMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O3/c15-9-7-8(16)3-4-10(9)18-12(20)14(5-1-2-6-14)11(19)17-13(18)21/h3-4,7H,1-2,5-6H2,(H,17,19,21).
What are the key properties of 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 418.62 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 107605004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).