3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1-pentyl-1,3-dihydro-2H-indol-2-one

HCID 12004331
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Basic information

Standard SMILES
CCCCCN1C(=O)C(O)(c2cc(C(F)(F)F)ccc2O)c2ccccc21
InChIKey
FYQSELXBNXNRMA-UHFFFAOYSA-N
Molecular formula
C20H20F3NO3
Average molar mass
379.4 g/mol
Monoisotopic mass
379.13952799

Names & identifiers

Preferred name
3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1-pentyl-1,3-dihydro-2H-indol-2-one
IUPAC
3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1-pentylindol-2-one

Names & synonyms

3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-1-pentyl-1,3-dihydro-2H-indol-2-oneSCHEMBL281817

Database identifiers

PubChem CID
12004331

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
60.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

Related reactions

9 records
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Compound notes

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