Basic information
- CAS
156052-75-4- Standard SMILES
CCC(C)C#CNC(=O)c1cc(Cl)c(C#N)c(Cl)c1- InChIKey
BHJKRWMALZVNMI-UHFFFAOYSA-N- Molecular formula
- C14H12Cl2N2O
- Average molar mass
- 295.2 g/mol
- Monoisotopic mass
- 294.0326684
Names & identifiers
- Preferred name
- 3,5-Dichloro-4-cyano-N-(3-methyl-1-pentyn-1-yl)benzamide
- IUPAC
- 3,5-dichloro-4-cyano-N-(3-methylpent-1-ynyl)benzamide
Names & synonyms
3,5-Dichloro-4-cyano-N-(3-methyl-1-pentyn-1-yl)benzamideDTXSID801200697156052-75-43,5-Dichloro-4-cyano-N-(3-methylpent-1-yn-1-yl)benzamide
Database identifiers
- CAS
156052-75-4- PubChem CID
- 19087886
- DTXSID
DTXSID801200697
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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