Basic information
- Standard SMILES
COc1cc(NC(C)=O)c(Cl)cc1C(=O)CCCCCl- InChIKey
NYCQPCOQNLYKQC-UHFFFAOYSA-N- Molecular formula
- C14H17Cl2NO3
- Average molar mass
- 318.2 g/mol
Names & identifiers
- Preferred name
- 1-(4-Acetylamino-5-chloro-2-methoxyphenyl)-5-chloropentan-1-one
- IUPAC
- N-[2-chloro-4-(5-chloropentanoyl)-5-methoxyphenyl]acetamide
Names & synonyms
SCHEMBL7355259NYCQPCOQNLYKQC-UHFFFAOYSA-N1-(4-acetylamino-5-chloro-2-methoxyphenyl)-5-chloro-pentan-1-one1-(4-Acetylamino-5-chloro-2-methoxyphenyl)-5-chloropentan-1-one
Database identifiers
- PubChem CID
- 19081861
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
4 records
Linked notes
Loading…