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

C15H16ClIN2O2 — CID 107604165

IUPAC4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(c2ccc(I)cc2Cl)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C15H16ClIN2O2/c16-11-8-10(17)4-5-12(11)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)
InChIKeyGXZLMLKCPZJWBC-UHFFFAOYSA-N
MW418.66 g/mol
LogP3.11
Rot. Bonds1

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

4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 107604165) has the molecular formula C15H16ClIN2O2 and a molecular weight of 418.66 g/mol. Its IUPAC name is 4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID107604165
Molecular FormulaC15H16ClIN2O2
Molecular Weight418.66 g/mol
Exact Mass417.99
IUPAC Name4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(c2ccc(I)cc2Cl)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C15H16ClIN2O2/c16-11-8-10(17)4-5-12(11)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)
InChIKeyGXZLMLKCPZJWBC-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 107604165) is 4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(c2ccc(I)cc2Cl)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is GXZLMLKCPZJWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN2O2/c16-11-8-10(17)4-5-12(11)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-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(2-chloro-4-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-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 107604165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).