2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione

C16H17BrClNO2 — CID 107612856

IUPAC2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESO=C1CC2(CCCCCC2)C(=O)N1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17BrClNO2/c17-12-6-5-11(9-13(12)18)19-14(20)10-16(15(19)21)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2
InChIKeyRRSIYDXWDUJUPV-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.71
Rot. Bonds1

About 2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione

2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 107612856) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID107612856
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESO=C1CC2(CCCCCC2)C(=O)N1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17BrClNO2/c17-12-6-5-11(9-13(12)18)19-14(20)10-16(15(19)21)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2
InChIKeyRRSIYDXWDUJUPV-UHFFFAOYSA-N
XLogP4.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.71
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-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione (CID 107612856) is 2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione is O=C1CC2(CCCCCC2)C(=O)N1c1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is RRSIYDXWDUJUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c17-12-6-5-11(9-13(12)18)19-14(20)10-16(15(19)21)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2.
What are the key properties of 2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione?
2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 370.67 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 107612856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).