1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C14H15BrINO2 — CID 114259696

IUPAC1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2cc(Br)ccc2I)C1=O
InChIInChI=1S/C14H15BrINO2/c1-8(2)14(3)7-12(18)17(13(14)19)11-6-9(15)4-5-10(11)16/h4-6,8H,7H2,1-3H3
InChIKeyKBSLMHPYKFFIPB-UHFFFAOYSA-N
MW436.09 g/mol
LogP3.98
Rot. Bonds2

About 1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 114259696) has the molecular formula C14H15BrINO2 and a molecular weight of 436.09 g/mol. Its IUPAC name is 1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID114259696
Molecular FormulaC14H15BrINO2
Molecular Weight436.09 g/mol
Exact Mass434.93
IUPAC Name1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2cc(Br)ccc2I)C1=O
InChIInChI=1S/C14H15BrINO2/c1-8(2)14(3)7-12(18)17(13(14)19)11-6-9(15)4-5-10(11)16/h4-6,8H,7H2,1-3H3
InChIKeyKBSLMHPYKFFIPB-UHFFFAOYSA-N
XLogP3.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.09
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 114259696) is 1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(c2cc(Br)ccc2I)C1=O.
What is the InChIKey of 1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is KBSLMHPYKFFIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrINO2/c1-8(2)14(3)7-12(18)17(13(14)19)11-6-9(15)4-5-10(11)16/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 436.09 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-iodophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 114259696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).