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

C16H15FN2O2 — CID 43586663

IUPAC6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(Cc1cccc(F)c1)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C16H15FN2O2/c1-19(9-10-3-2-4-11(17)7-10)12-5-6-13-14(8-12)18-16(21)15(13)20/h2-8,15,20H,9H2,1H3,(H,18,21)
InChIKeyCISSCNNOQJDFRB-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.45
Rot. Bonds3

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

6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 43586663) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID43586663
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(Cc1cccc(F)c1)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C16H15FN2O2/c1-19(9-10-3-2-4-11(17)7-10)12-5-6-13-14(8-12)18-16(21)15(13)20/h2-8,15,20H,9H2,1H3,(H,18,21)
InChIKeyCISSCNNOQJDFRB-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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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one (CID 43586663) is 6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one is CN(Cc1cccc(F)c1)c1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is CISSCNNOQJDFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-19(9-10-3-2-4-11(17)7-10)12-5-6-13-14(8-12)18-16(21)15(13)20/h2-8,15,20H,9H2,1H3,(H,18,21).
What are the key properties of 6-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one?
6-[(3-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-[(3-fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).