1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione

C16H12BrNO2 — CID 60703087

IUPAC1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1c1ccccc1Br
InChIInChI=1S/C16H12BrNO2/c17-13-8-4-5-9-14(13)18-15(19)10-12(16(18)20)11-6-2-1-3-7-11/h1-9,12H,10H2
InChIKeySJCRDXFCZHWMDB-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.50
Rot. Bonds2

About 1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione

1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 60703087) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID60703087
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1c1ccccc1Br
InChIInChI=1S/C16H12BrNO2/c17-13-8-4-5-9-14(13)18-15(19)10-12(16(18)20)11-6-2-1-3-7-11/h1-9,12H,10H2
InChIKeySJCRDXFCZHWMDB-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.50
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-bromophenyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione (CID 60703087) is 1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is SJCRDXFCZHWMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c17-13-8-4-5-9-14(13)18-15(19)10-12(16(18)20)11-6-2-1-3-7-11/h1-9,12H,10H2.
What are the key properties of 1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione?
1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 330.18 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 60703087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).