[2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate

C24H16BrNO5 — CID 983609

IUPAC[2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2C1=O
InChIInChI=1S/C24H16BrNO5/c1-14-4-2-3-5-20(14)26-22(28)18-11-8-16(12-19(18)23(26)29)24(30)31-13-21(27)15-6-9-17(25)10-7-15/h2-12H,13H2,1H3
InChIKeyVIDZDWCIWKELCV-UHFFFAOYSA-N
MW478.30 g/mol
LogP4.60
Rot. Bonds5

About [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate

[2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate (PubChem CID 983609) has the molecular formula C24H16BrNO5 and a molecular weight of 478.30 g/mol. Its IUPAC name is [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name[2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
PubChem CID983609
Molecular FormulaC24H16BrNO5
Molecular Weight478.30 g/mol
Exact Mass477.02
IUPAC Name[2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2C1=O
InChIInChI=1S/C24H16BrNO5/c1-14-4-2-3-5-20(14)26-22(28)18-11-8-16(12-19(18)23(26)29)24(30)31-13-21(27)15-6-9-17(25)10-7-15/h2-12H,13H2,1H3
InChIKeyVIDZDWCIWKELCV-UHFFFAOYSA-N
XLogP4.60
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 570285
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CID 1719649
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CID 4195639
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CID 5102443
CID 5102443
CID 5110066
CID 5110066
CID 44402180
CID 44402180
CID 44402309
CID 44402309
CID 44402341
CID 44402341
CID 44402406
CID 44402406
CID 44402610
CID 44402610
CID 983574
CID 983574
CID 983626
CID 983626

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate (CID 983609) is [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate is Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2C1=O.
What is the InChIKey of [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is VIDZDWCIWKELCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrNO5/c1-14-4-2-3-5-20(14)26-22(28)18-11-8-16(12-19(18)23(26)29)24(30)31-13-21(27)15-6-9-17(25)10-7-15/h2-12H,13H2,1H3.
What are the key properties of [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate?
[2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 478.30 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-2-oxoethyl] 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 983609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).