Basic information
- Standard SMILES
CC(Nc1c(NCc2ccc(Cl)cc2Cl)c(=O)c1=O)C(C)(C)C- InChIKey
CJWFHLXAQAIBNE-UHFFFAOYSA-N- Molecular formula
- C17H20Cl2N2O2
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 354.0901833
Names & identifiers
- Preferred name
- 3-(2,4-Dichlorobenzylamino)-4-(1,2,2-trimethylproylamino)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-[(2,4-dichlorophenyl)methylamino]-4-(3,3-dimethylbutan-2-ylamino)cyclobut-3-ene-1,2-dione
Names & synonyms
CHEMBL19556SCHEMBL7597329CJWFHLXAQAIBNE-UHFFFAOYSA-N3-(2,4-Dichlorobenzylamino)-4-(1,2,2-trimethylproylamino)-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 19082439
- ChEMBL
CHEMBL19556
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 525
Related reactions
1 records
Compound notes
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