Basic information
- Standard SMILES
Cc1ccc(C(=O)Nc2c(NC(=O)CCl)ccc3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
LYJYMKFVNDQMAF-UHFFFAOYSA-N- Molecular formula
- C24H17ClN2O4
- Average molar mass
- 432.9 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methylbenzamido)-2-(chloroacetamido)-anthraquinone
- IUPAC
- N-[2-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]-4-methylbenzamide
Names & synonyms
SCHEMBL2269050CHEMBL1927748LYJYMKFVNDQMAF-UHFFFAOYSA-NNSC-7492321-(4-methylbenzamido)-2-(chloroacetamido)-anthraquinone
Database identifiers
- PubChem CID
- 53374199
- ChEMBL
CHEMBL1927748
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 733
Related reactions
22 records
Compound notes
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