1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione

C16H11BrFNO2 — CID 65430330

IUPAC1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1c1ccc(Br)c(F)c1
InChIInChI=1S/C16H11BrFNO2/c17-13-7-6-11(8-14(13)18)19-15(20)9-12(16(19)21)10-4-2-1-3-5-10/h1-8,12H,9H2
InChIKeyQBTUOWBKYSYDGX-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.64
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione

1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 65430330) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID65430330
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1c1ccc(Br)c(F)c1
InChIInChI=1S/C16H11BrFNO2/c17-13-7-6-11(8-14(13)18)19-15(20)9-12(16(19)21)10-4-2-1-3-5-10/h1-8,12H,9H2
InChIKeyQBTUOWBKYSYDGX-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.64
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-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione (CID 65430330) is 1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is QBTUOWBKYSYDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c17-13-7-6-11(8-14(13)18)19-15(20)9-12(16(19)21)10-4-2-1-3-5-10/h1-8,12H,9H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione?
1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 348.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 65430330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).