5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione

C26H23BrN2O3 — CID 156771371

IUPAC5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione
SMILESCc1c(-c2ccccc2)cccc1N1C(=O)c2cc(Br)c(CN3CCOCC3)cc2C1=O
InChIInChI=1S/C26H23BrN2O3/c1-17-20(18-6-3-2-4-7-18)8-5-9-24(17)29-25(30)21-14-19(16-28-10-12-32-13-11-28)23(27)15-22(21)26(29)31/h2-9,14-15H,10-13,16H2,1H3
InChIKeyVLFGBKHJQBWLLO-UHFFFAOYSA-N
MW491.39 g/mol
LogP5.06
Rot. Bonds4

About 5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione

5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione (PubChem CID 156771371) has the molecular formula C26H23BrN2O3 and a molecular weight of 491.39 g/mol. Its IUPAC name is 5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione
PubChem CID156771371
Molecular FormulaC26H23BrN2O3
Molecular Weight491.39 g/mol
Exact Mass490.09
IUPAC Name5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione
SMILESCc1c(-c2ccccc2)cccc1N1C(=O)c2cc(Br)c(CN3CCOCC3)cc2C1=O
InChIInChI=1S/C26H23BrN2O3/c1-17-20(18-6-3-2-4-7-18)8-5-9-24(17)29-25(30)21-14-19(16-28-10-12-32-13-11-28)23(27)15-22(21)26(29)31/h2-9,14-15H,10-13,16H2,1H3
InChIKeyVLFGBKHJQBWLLO-UHFFFAOYSA-N
XLogP5.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione (CID 156771371) is 5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione is Cc1c(-c2ccccc2)cccc1N1C(=O)c2cc(Br)c(CN3CCOCC3)cc2C1=O.
What is the InChIKey of 5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione?
The InChIKey is VLFGBKHJQBWLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN2O3/c1-17-20(18-6-3-2-4-7-18)8-5-9-24(17)29-25(30)21-14-19(16-28-10-12-32-13-11-28)23(27)15-22(21)26(29)31/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of 5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione?
5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione has a molecular weight of 491.39 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methyl-3-phenylphenyl)-6-(morpholin-4-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 156771371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).