2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione

C14H13BrClNO2 — CID 81274217

IUPAC2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1cc(Cl)ccc1Br
InChIInChI=1S/C14H13BrClNO2/c15-10-4-3-9(16)7-11(10)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2
InChIKeyZWSDOFMXZHYYJL-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.93
Rot. Bonds1

About 2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 81274217) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID81274217
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1cc(Cl)ccc1Br
InChIInChI=1S/C14H13BrClNO2/c15-10-4-3-9(16)7-11(10)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2
InChIKeyZWSDOFMXZHYYJL-UHFFFAOYSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 81274217) is 2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1c1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is ZWSDOFMXZHYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c15-10-4-3-9(16)7-11(10)17-12(18)8-14(13(17)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 342.62 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 81274217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).