Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1- InChIKey
CLPJDDCWLJOIBI-UHFFFAOYSA-N- Molecular formula
- C21H23BF3NO3
- Average molar mass
- 405.2 g/mol
- Monoisotopic mass
- 405.1723082
Names & identifiers
- Preferred name
- N-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide
- IUPAC
- N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide
Names & synonyms
876322-58-6N-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamideN-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamideN-[4-Methyl-3-(4,4,5,5-tetramethyl- [1,3,2]dioxaborolan-2-yl)-phenyl]-3-trifluoromethyl-benzamideSCHEMBL2887561SCHEMBL29536884MFCD21605391N-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-3-trifluoromethylbenzamideSY399013DB-343719EN300-372083A1-44141
Show more names
Z27681651332-Methyl-5-[3-(trifluoromethyl)benzamido]phenylboronic Acid Pinacol EsterN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-3-tri-fluoromethyl-benzamideN-[4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-3-trifluoromethyl-benzamide
Database identifiers
- PubChem CID
- 58601063
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 594
Related reactions
2 records
Compound notes
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