5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one

C11H10BrF3N2O2 — CID 79335846

IUPAC5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CC(F)(F)F)c1cc2c(cc1Br)C(O)C(=O)N2
InChIInChI=1S/C11H10BrF3N2O2/c1-17(4-11(13,14)15)8-3-7-5(2-6(8)12)9(18)10(19)16-7/h2-3,9,18H,4H2,1H3,(H,16,19)
InChIKeyIKWOVTHTSDMLKD-UHFFFAOYSA-N
MW339.11 g/mol
LogP2.43
Rot. Bonds2

About 5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one

5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79335846) has the molecular formula C11H10BrF3N2O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
PubChem CID79335846
Molecular FormulaC11H10BrF3N2O2
Molecular Weight339.11 g/mol
Exact Mass337.99
IUPAC Name5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CC(F)(F)F)c1cc2c(cc1Br)C(O)C(=O)N2
InChIInChI=1S/C11H10BrF3N2O2/c1-17(4-11(13,14)15)8-3-7-5(2-6(8)12)9(18)10(19)16-7/h2-3,9,18H,4H2,1H3,(H,16,19)
InChIKeyIKWOVTHTSDMLKD-UHFFFAOYSA-N
XLogP2.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one (CID 79335846) is 5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one is CN(CC(F)(F)F)c1cc2c(cc1Br)C(O)C(=O)N2.
What is the InChIKey of 5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is IKWOVTHTSDMLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2/c1-17(4-11(13,14)15)8-3-7-5(2-6(8)12)9(18)10(19)16-7/h2-3,9,18H,4H2,1H3,(H,16,19).
What are the key properties of 5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 339.11 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79335846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).