1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione

C19H18BrNO2 — CID 2868210

IUPAC1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1cccc(CC2CC(=O)N(c3ccc(C)cc3Br)C2=O)c1
InChIInChI=1S/C19H18BrNO2/c1-12-4-3-5-14(8-12)10-15-11-18(22)21(19(15)23)17-7-6-13(2)9-16(17)20/h3-9,15H,10-11H2,1-2H3
InChIKeyMIWVQYCPDOHGHI-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.19
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione

1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 2868210) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID2868210
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1cccc(CC2CC(=O)N(c3ccc(C)cc3Br)C2=O)c1
InChIInChI=1S/C19H18BrNO2/c1-12-4-3-5-14(8-12)10-15-11-18(22)21(19(15)23)17-7-6-13(2)9-16(17)20/h3-9,15H,10-11H2,1-2H3
InChIKeyMIWVQYCPDOHGHI-UHFFFAOYSA-N
XLogP4.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.19
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 1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 2868210) is 1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1cccc(CC2CC(=O)N(c3ccc(C)cc3Br)C2=O)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is MIWVQYCPDOHGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-12-4-3-5-14(8-12)10-15-11-18(22)21(19(15)23)17-7-6-13(2)9-16(17)20/h3-9,15H,10-11H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 372.26 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2868210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).