Basic information
- Standard SMILES
CCCC(CCC)NC=C(C#N)C(=O)c1c(Cl)cccc1Cl- InChIKey
KFPYZTYZXWJCKF-UHFFFAOYSA-N- Molecular formula
- C17H20Cl2N2O
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 338.0952687
Names & identifiers
- Preferred name
- 2-(2,6-Dichlorobenzoyl)-3-(heptan-4-ylamino)prop-2-enenitrile
- IUPAC
- 2-(2,6-dichlorobenzoyl)-3-(heptan-4-ylamino)prop-2-enenitrile
Names & synonyms
SCHEMBL2070642
Database identifiers
- PubChem CID
- 67267342
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 425
Related reactions
1 records
Compound notes
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