1-(4-Iodo-phenyl)-3-(4-methyl-benzyl)-pyrrolidine-2,5-dione
Basic information
- CAS
332063-30-6- Standard SMILES
Cc1ccc(CC2CC(=O)N(c3ccc(I)cc3)C2=O)cc1- InChIKey
CJLRHQAWLVKXBB-UHFFFAOYSA-N- Molecular formula
- C18H16INO2
- Average molar mass
- 405.2 g/mol
- Monoisotopic mass
- 405.02258
Names & identifiers
- Preferred name
- 1-(4-Iodo-phenyl)-3-(4-methyl-benzyl)-pyrrolidine-2,5-dione
- IUPAC
- 1-(4-iodophenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
- English name
- 1-(4-iodophenyl)-3-(4-methylbenzyl)-2,5-pyrrolidinedione
- Molecular formula
- C18H16INO2
- Molecular weight
- 405.23
Names & synonyms
1-(4-iodophenyl)-3-(4-methylbenzyl)pyrrolidine-2,5-dione1-(4-Iodo-phenyl)-3-(4-methyl-benzyl)-pyrrolidine-2,5-dione1-(4-iodophenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dioneCJLRHQAWLVKXBB-UHFFFAOYSA-NOprea1_212659Oprea1_294199HTS25325STK830845AKOS000620545AKOS024272091AG-690/124054801-(4-Iodophenyl)-3-(4-methylbenzyl)-2,5-pyrrolidinedione
Show more names
2,5-Pyrrolidinedione, 1-(4-iodophenyl)-3-[(4-methylphenyl)methyl]-
1-(4-Iodophenyl)-3-(4-methylbenzyl)-2,5-pyrrolidinedione #
Database identifiers
- CAS
332063-30-6- PubChem CID
- 571432
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Boiling point
- 563.8 · 563.8±33.0 °C(Predicted)
- Density
- 1.597 · 1.597±0.06 g/cm3(Predicted)
- pka
- -1.52 · -1.52±0.40(Predicted)
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Compound notes
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