3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione

C13H15IN2O2 — CID 43636637

IUPAC3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2ccc(I)cc2)C1=O
InChIInChI=1S/C13H15IN2O2/c1-8(2)16-12(17)7-11(13(16)18)15-10-5-3-9(14)4-6-10/h3-6,8,11,15H,7H2,1-2H3
InChIKeyCNEGMXBNWCHRJV-UHFFFAOYSA-N
MW358.18 g/mol
LogP2.24
Rot. Bonds3

About 3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione

3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43636637) has the molecular formula C13H15IN2O2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43636637
Molecular FormulaC13H15IN2O2
Molecular Weight358.18 g/mol
Exact Mass358.02
IUPAC Name3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2ccc(I)cc2)C1=O
InChIInChI=1S/C13H15IN2O2/c1-8(2)16-12(17)7-11(13(16)18)15-10-5-3-9(14)4-6-10/h3-6,8,11,15H,7H2,1-2H3
InChIKeyCNEGMXBNWCHRJV-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione (CID 43636637) is 3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nc2ccc(I)cc2)C1=O.
What is the InChIKey of 3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is CNEGMXBNWCHRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O2/c1-8(2)16-12(17)7-11(13(16)18)15-10-5-3-9(14)4-6-10/h3-6,8,11,15H,7H2,1-2H3.
What are the key properties of 3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione?
3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 358.18 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodoanilino)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).