3-tert-Butylamino-4-(3,4-dichlorobenzylamino)-cyclobut-3-ene-1,2-dione

HCID 19082421
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Basic information

Standard SMILES
CC(C)(C)Nc1c(NCc2ccc(Cl)c(Cl)c2)c(=O)c1=O
InChIKey
KJVGAENQETUOFH-UHFFFAOYSA-N
Molecular formula
C15H16Cl2N2O2
Average molar mass
327.2 g/mol
Monoisotopic mass
326.0588831

Names & identifiers

Preferred name
3-tert-Butylamino-4-(3,4-dichlorobenzylamino)-cyclobut-3-ene-1,2-dione
IUPAC
3-(tert-butylamino)-4-[(3,4-dichlorophenyl)methylamino]cyclobut-3-ene-1,2-dione

Names & synonyms

SCHEMBL7603199KJVGAENQETUOFH-UHFFFAOYSA-N3-tert-Butylamino-4-(3,4-dichlorobenzylamino)-cyclobut-3-ene-1,2-dione

Database identifiers

PubChem CID
19082421

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

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