1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione

C12H11BrClNO2 — CID 103500313

IUPAC1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2cc(Cl)ccc2Br)C(=O)C1C
InChIInChI=1S/C12H11BrClNO2/c1-6-7(2)12(17)15(11(6)16)10-5-8(14)3-4-9(10)13/h3-7H,1-2H3
InChIKeyHRDVQMSWQZUDEO-UHFFFAOYSA-N
MW316.58 g/mol
LogP3.25
Rot. Bonds1

About 1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione

1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 103500313) has the molecular formula C12H11BrClNO2 and a molecular weight of 316.58 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID103500313
Molecular FormulaC12H11BrClNO2
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2cc(Cl)ccc2Br)C(=O)C1C
InChIInChI=1S/C12H11BrClNO2/c1-6-7(2)12(17)15(11(6)16)10-5-8(14)3-4-9(10)13/h3-7H,1-2H3
InChIKeyHRDVQMSWQZUDEO-UHFFFAOYSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 53.25
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-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 103500313) is 1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(c2cc(Cl)ccc2Br)C(=O)C1C.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is HRDVQMSWQZUDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO2/c1-6-7(2)12(17)15(11(6)16)10-5-8(14)3-4-9(10)13/h3-7H,1-2H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 316.58 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103500313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).