Basic information
- CAS
53760-53-5- Standard SMILES
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Nc1ccc(Br)cc1- InChIKey
BKAABHXMEXDARY-UHFFFAOYSA-N- Molecular formula
- C20H23BrCl2N2O
- Average molar mass
- 458.2 g/mol
- Monoisotopic mass
- 456.03708
Names & identifiers
- Preferred name
- 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide
- IUPAC
- 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide
Names & synonyms
53760-53-5NSC145697DTXSID50301675NSC-145697
Database identifiers
- CAS
53760-53-5- PubChem CID
- 286715
- DTXSID
DTXSID50301675
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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