N-(3-Cyclopentyl-1-hydroxy-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-4-fluoro-2-trifluoromethyl-benzamide

HCID 67359293
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Basic information

Standard SMILES
O=C(Nc1ccc2c(c1)B(O)OC2C1CCCC1)c1ccc(F)cc1C(F)(F)F
InChIKey
BWAVKBQTHSOIHP-UHFFFAOYSA-N
Molecular formula
C20H18BF4NO3
Average molar mass
407.2 g/mol

Names & identifiers

Preferred name
N-(3-Cyclopentyl-1-hydroxy-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-4-fluoro-2-trifluoromethyl-benzamide
IUPAC
N-(3-cyclopentyl-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-4-fluoro-2-(trifluoromethyl)benzamide

Names & synonyms

N-(3-Cyclopentyl-1-hydroxy-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-4-fluoro-2-trifluoromethyl-benzamideSCHEMBL2311320

Database identifiers

PubChem CID
67359293

Properties

Computed structural properties

Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
29

Related reactions

1 records
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Compound notes

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