Basic information
- Standard SMILES
CCC(C)(C)Nc1c(NCc2cc(Cl)cc(Cl)c2)c(=O)c1=O- InChIKey
DYIOOLTYMWHLSO-UHFFFAOYSA-N- Molecular formula
- C16H18Cl2N2O2
- Average molar mass
- 341.2 g/mol
Names & identifiers
- Preferred name
- 3-(3,5-Dichloro-benzylamino)-4-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-[(3,5-dichlorophenyl)methylamino]-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL7886468DYIOOLTYMWHLSO-UHFFFAOYSA-N3-(3,5-Dichloro-benzylamino)-4-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 53785671
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 492
Related reactions
2 records
Compound notes
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