7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C12H8BrClN2O3 — CID 112599175

IUPAC7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1c1ccc(Br)cc1Cl
InChIInChI=1S/C12H8BrClN2O3/c13-6-1-2-8(7(14)5-6)16-10(18)12(3-4-12)9(17)15-11(16)19/h1-2,5H,3-4H2,(H,15,17,19)
InChIKeySUCKJMCYYOFLBL-UHFFFAOYSA-N
MW343.56 g/mol
LogP2.47
Rot. Bonds1

About 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112599175) has the molecular formula C12H8BrClN2O3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112599175
Molecular FormulaC12H8BrClN2O3
Molecular Weight343.56 g/mol
Exact Mass341.94
IUPAC Name7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1c1ccc(Br)cc1Cl
InChIInChI=1S/C12H8BrClN2O3/c13-6-1-2-8(7(14)5-6)16-10(18)12(3-4-12)9(17)15-11(16)19/h1-2,5H,3-4H2,(H,15,17,19)
InChIKeySUCKJMCYYOFLBL-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-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
3-chloro-4-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)benzonitrile
CID 107810702
9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 107605004
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
7-(5-chloro-2-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599284
8-(3-bromo-4-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948707
7-(4-bromo-2,6-difluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948330
9-(2,3-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115946527
7-(3-chloro-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599086
7-(4-methoxy-2-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115947921
7-(2,6-dimethyl-3-pyridinyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112601247

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112599175) is 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is O=C1NC(=O)C2(CC2)C(=O)N1c1ccc(Br)cc1Cl.
What is the InChIKey of 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is SUCKJMCYYOFLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O3/c13-6-1-2-8(7(14)5-6)16-10(18)12(3-4-12)9(17)15-11(16)19/h1-2,5H,3-4H2,(H,15,17,19).
What are the key properties of 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 343.56 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112599175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).