Basic information
- Standard SMILES
Cc1cccc(OCCCO)c1N(C)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
DWTKLCZVTUKRHW-UHFFFAOYSA-N- Molecular formula
- C24H31BClNO5
- Average molar mass
- 459.8 g/mol
Names & identifiers
- Preferred name
- 4-chloro-N-[2-(3-hydroxy-propoxy)-6-methyl-phenyl]-N-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
- IUPAC
- 4-chloro-N-[2-(3-hydroxypropoxy)-6-methylphenyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Names & synonyms
SCHEMBL3335792DWTKLCZVTUKRHW-UHFFFAOYSA-N4-chloro-N-[2-(3-hydroxy-propoxy)-6-methyl-phenyl]-N-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
Database identifiers
- PubChem CID
- 68602020
Properties
Computed structural properties
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 632
Related reactions
5 records
Compound notes
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