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

HCID 68602020

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

Related reactions

5 records

Compound notes

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