4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione

C16H12BrNO3 — CID 10958913

IUPAC4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione
SMILESCOc1ccc(N2C(=O)C(=O)C2c2ccccc2Br)cc1
InChIInChI=1S/C16H12BrNO3/c1-21-11-8-6-10(7-9-11)18-14(15(19)16(18)20)12-4-2-3-5-13(12)17/h2-9,14H,1H3
InChIKeyWFDWWCLUNVSGLV-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.11
Rot. Bonds3

About 4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione

4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione (PubChem CID 10958913) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione
PubChem CID10958913
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Name4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione
SMILESCOc1ccc(N2C(=O)C(=O)C2c2ccccc2Br)cc1
InChIInChI=1S/C16H12BrNO3/c1-21-11-8-6-10(7-9-11)18-14(15(19)16(18)20)12-4-2-3-5-13(12)17/h2-9,14H,1H3
InChIKeyWFDWWCLUNVSGLV-UHFFFAOYSA-N
XLogP3.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
(4E)-1-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108678546
(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 40715931
(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108606567
(4R)-4-tert-butyl-1-(4-methoxyphenyl)azetidine-2,3-dione
CID 102211172
(4E,5S)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 98377511
(4E)-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677338
(5S)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 7420614
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(4S)-5-(4-bromophenyl)-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51467342
4-[(2R)-2-(2-fluorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 30088487

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione?
The IUPAC name of 4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione (CID 10958913) is 4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione.
What is the SMILES notation for 4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione?
The canonical SMILES for 4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione is COc1ccc(N2C(=O)C(=O)C2c2ccccc2Br)cc1.
What is the InChIKey of 4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione?
The InChIKey is WFDWWCLUNVSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c1-21-11-8-6-10(7-9-11)18-14(15(19)16(18)20)12-4-2-3-5-13(12)17/h2-9,14H,1H3.
What are the key properties of 4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione?
4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione has a molecular weight of 346.18 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-(4-methoxyphenyl)azetidine-2,3-dione is sourced from PubChem (CID 10958913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).