1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one

C22H26BrNO3Si — CID 22034413

IUPAC1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)c2ccccc2)C1c1ccc(Br)cc1
InChIInChI=1S/C22H26BrNO3Si/c1-4-28(5-2,6-3)27-20-19(16-12-14-18(23)15-13-16)24(22(20)26)21(25)17-10-8-7-9-11-17/h7-15,19-20H,4-6H2,1-3H3
InChIKeyMEEZSAZIHSZSHW-UHFFFAOYSA-N
MW460.44 g/mol
LogP5.56
Rot. Bonds7

About 1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one

1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one (PubChem CID 22034413) has the molecular formula C22H26BrNO3Si and a molecular weight of 460.44 g/mol. Its IUPAC name is 1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one.

Molecular Properties

Compound Name1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one
PubChem CID22034413
Molecular FormulaC22H26BrNO3Si
Molecular Weight460.44 g/mol
Exact Mass459.09
IUPAC Name1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)c2ccccc2)C1c1ccc(Br)cc1
InChIInChI=1S/C22H26BrNO3Si/c1-4-28(5-2,6-3)27-20-19(16-12-14-18(23)15-13-16)24(22(20)26)21(25)17-10-8-7-9-11-17/h7-15,19-20H,4-6H2,1-3H3
InChIKeyMEEZSAZIHSZSHW-UHFFFAOYSA-N
XLogP5.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one?
The IUPAC name of 1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one (CID 22034413) is 1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one.
What is the SMILES notation for 1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one?
The canonical SMILES for 1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one is CC[Si](CC)(CC)OC1C(=O)N(C(=O)c2ccccc2)C1c1ccc(Br)cc1.
What is the InChIKey of 1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one?
The InChIKey is MEEZSAZIHSZSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrNO3Si/c1-4-28(5-2,6-3)27-20-19(16-12-14-18(23)15-13-16)24(22(20)26)21(25)17-10-8-7-9-11-17/h7-15,19-20H,4-6H2,1-3H3.
What are the key properties of 1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one?
1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one has a molecular weight of 460.44 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one is sourced from PubChem (CID 22034413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).