4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione

C17H12Br2N2O3 — CID 91321463

IUPAC4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione
SMILESCC(=O)C1C(=O)C(=O)N(c2ccc(Br)cn2)C1c1ccc(Br)cc1
InChIInChI=1S/C17H12Br2N2O3/c1-9(22)14-15(10-2-4-11(18)5-3-10)21(17(24)16(14)23)13-7-6-12(19)8-20-13/h2-8,14-15H,1H3
InChIKeyULFCGOITVFUIFU-UHFFFAOYSA-N
MW452.10 g/mol
LogP3.47
Rot. Bonds3

About 4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione

4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione (PubChem CID 91321463) has the molecular formula C17H12Br2N2O3 and a molecular weight of 452.10 g/mol. Its IUPAC name is 4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione
PubChem CID91321463
Molecular FormulaC17H12Br2N2O3
Molecular Weight452.10 g/mol
Exact Mass449.92
IUPAC Name4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione
SMILESCC(=O)C1C(=O)C(=O)N(c2ccc(Br)cn2)C1c1ccc(Br)cc1
InChIInChI=1S/C17H12Br2N2O3/c1-9(22)14-15(10-2-4-11(18)5-3-10)21(17(24)16(14)23)13-7-6-12(19)8-20-13/h2-8,14-15H,1H3
InChIKeyULFCGOITVFUIFU-UHFFFAOYSA-N
XLogP3.47
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.10
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione?
The IUPAC name of 4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione (CID 91321463) is 4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione is CC(=O)C1C(=O)C(=O)N(c2ccc(Br)cn2)C1c1ccc(Br)cc1.
What is the InChIKey of 4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione?
The InChIKey is ULFCGOITVFUIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2O3/c1-9(22)14-15(10-2-4-11(18)5-3-10)21(17(24)16(14)23)13-7-6-12(19)8-20-13/h2-8,14-15H,1H3.
What are the key properties of 4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione?
4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione has a molecular weight of 452.10 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91321463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).