3-[(4-Methylphenyl)amino]-1-(3-nitrophenyl)-2,5-pyrrolidinedione
Basic information
- CAS
476410-22-7- Standard SMILES
Cc1ccc(NC2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1- InChIKey
DSHJOOHBRVCGIR-UHFFFAOYSA-N- Molecular formula
- C17H15N3O4
- Average molar mass
- 325.32 g/mol
- Monoisotopic mass
- 325.10625597
Names & identifiers
- Preferred name
- 3-[(4-Methylphenyl)amino]-1-(3-nitrophenyl)-2,5-pyrrolidinedione
- IUPAC
- 3-(4-methylanilino)-1-(3-nitrophenyl)pyrrolidine-2,5-dione
Names & synonyms
476410-22-73-[(4-methylphenyl)amino]-1-(3-nitrophenyl)-2,5-pyrrolidinedione3-((4-Methylphenyl)amino)-1-(3-nitrophenyl)-2,5-pyrrolidinedioneRefChem:2729853-(4-methylanilino)-1-(3-nitrophenyl)pyrrolidine-2,5-dione1-(3-nitrophenyl)-3-(p-tolylamino)pyrrolidine-2,5-dioneMLS000664735CHEMBL1302672DTXSID301172027HMS2741B03AKOS001765897AKOS016319481
Show more names
SMR000296189ST075427AB00609345-02SR-01000294886SR-01000294886-1F0425-00173-[(4-methylphenyl)amino]-1-(3-nitrophenyl)azolidine-2,5-dione2,5-Pyrrolidinedione, 3-[(4-methylphenyl)amino]-1-(3-nitrophenyl)-
Database identifiers
- CAS
476410-22-7- PubChem CID
- 2974201
- DTXSID
DTXSID301172027- ChEMBL
CHEMBL1302672
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
Experimental & physicochemical properties
Solubility39 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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