11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone

C21H17ClN2O4 — CID 11741483

IUPAC11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
SMILESO=C1CC(c2ccccc2)C2(C(=O)NC(=O)NC2=O)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H17ClN2O4/c22-14-8-6-13(7-9-14)17-11-15(25)10-16(12-4-2-1-3-5-12)21(17)18(26)23-20(28)24-19(21)27/h1-9,16-17H,10-11H2,(H2,23,24,26,27,28)
InChIKeyFJDZRKCDJOMHQW-UHFFFAOYSA-N
MW396.83 g/mol
LogP2.92
Rot. Bonds2

About 11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone

11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone (PubChem CID 11741483) has the molecular formula C21H17ClN2O4 and a molecular weight of 396.83 g/mol. Its IUPAC name is 11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone.

Molecular Properties

Compound Name11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
PubChem CID11741483
Molecular FormulaC21H17ClN2O4
Molecular Weight396.83 g/mol
Exact Mass396.09
IUPAC Name11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
SMILESO=C1CC(c2ccccc2)C2(C(=O)NC(=O)NC2=O)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H17ClN2O4/c22-14-8-6-13(7-9-14)17-11-15(25)10-16(12-4-2-1-3-5-12)21(17)18(26)23-20(28)24-19(21)27/h1-9,16-17H,10-11H2,(H2,23,24,26,27,28)
InChIKeyFJDZRKCDJOMHQW-UHFFFAOYSA-N
XLogP2.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone?
The IUPAC name of 11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone (CID 11741483) is 11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone.
What is the SMILES notation for 11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone?
The canonical SMILES for 11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone is O=C1CC(c2ccccc2)C2(C(=O)NC(=O)NC2=O)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone?
The InChIKey is FJDZRKCDJOMHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4/c22-14-8-6-13(7-9-14)17-11-15(25)10-16(12-4-2-1-3-5-12)21(17)18(26)23-20(28)24-19(21)27/h1-9,16-17H,10-11H2,(H2,23,24,26,27,28).
What are the key properties of 11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone?
11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone has a molecular weight of 396.83 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone is sourced from PubChem (CID 11741483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).