6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one

C16H15FN2O2 — CID 61412842

IUPAC6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(Cc1ccccc1F)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C16H15FN2O2/c1-19(9-10-4-2-3-5-13(10)17)11-6-7-12-14(8-11)18-16(21)15(12)20/h2-8,15,20H,9H2,1H3,(H,18,21)
InChIKeyQTWRBGZZQDSQKV-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.45
Rot. Bonds3

About 6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one

6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 61412842) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID61412842
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(Cc1ccccc1F)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C16H15FN2O2/c1-19(9-10-4-2-3-5-13(10)17)11-6-7-12-14(8-11)18-16(21)15(12)20/h2-8,15,20H,9H2,1H3,(H,18,21)
InChIKeyQTWRBGZZQDSQKV-UHFFFAOYSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.45
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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Related Compounds

5-fluoro-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 2741177
3-hydroxy-1-methyl-2,3-dihydro-1H-indol-2-one
CID 11084207
5-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydroxy-ethyl}-1,3-dihydro-indol-2-one
CID 14580202
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-5-methyl-
CID 57488
5-[(1S,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-2-one
CID 9929020
5-[(1S,2S)-1-Hydroxy-2-(4-phenyl-piperidin-1-yl)-propyl]-1,3-dihydro-indol-2-one
CID 44383751
5-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-2-one
CID 44384451
(3r)-5-Fluoro-3-Hydroxy-1,3-Dihydro-2h-Indol-2-One
CID 6926189
1-benzyl-3-hydroxy-3H-indol-2-one
CID 57333507
3-(4-Fluorophenyl)-1,3-dihydro-3-hydroxy-2H-indol-2-one
CID 12862125
5-Fluoro-1,3-dihydro-3-hydroxy-3-phenyl-2H-indol-2-one
CID 72678897
1-Ethyl-3-hydroxy-2-oxindole
CID 13905871

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one (CID 61412842) is 6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one is CN(Cc1ccccc1F)c1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is QTWRBGZZQDSQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-19(9-10-4-2-3-5-13(10)17)11-6-7-12-14(8-11)18-16(21)15(12)20/h2-8,15,20H,9H2,1H3,(H,18,21).
What are the key properties of 6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one?
6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 286.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 61412842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).