N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide
Basic information
- CAS
71856-92-3- Standard SMILES
CC(=O)NC(/C=C/c1ccc(Cl)c(Cl)c1)c1cccc(O)c(=O)c1- InChIKey
MNHWGCKMGXUYPX-SOFGYWHQSA-N- Molecular formula
- C18H15Cl2NO3
- Average molar mass
- 364.2 g/mol
- Monoisotopic mass
- 363.0428987
Names & identifiers
- Preferred name
- N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide
- IUPAC
- N-[(E)-3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-enyl]acetamide
Names & synonyms
NSC28288471856-92-3DTXSID50422339NSC-282884N-[(2E)-3-(3,4-Dichlorophenyl)-1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)prop-2-en-1-yl]acetamide
Database identifiers
- CAS
71856-92-3- PubChem CID
- 6283483
- DTXSID
DTXSID50422339
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 622
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Compound notes
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