5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one

C17H13FN2O2 — CID 118710068

IUPAC5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one
SMILESCc1ccc2[nH]cc(C3(O)C(=O)Nc4ccc(F)cc43)c2c1
InChIInChI=1S/C17H13FN2O2/c1-9-2-4-14-11(6-9)13(8-19-14)17(22)12-7-10(18)3-5-15(12)20-16(17)21/h2-8,19,22H,1H3,(H,20,21)
InChIKeyLTZJTCCJPAQEIJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.80
Rot. Bonds1

About 5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one

5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one (PubChem CID 118710068) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one
PubChem CID118710068
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one
SMILESCc1ccc2[nH]cc(C3(O)C(=O)Nc4ccc(F)cc43)c2c1
InChIInChI=1S/C17H13FN2O2/c1-9-2-4-14-11(6-9)13(8-19-14)17(22)12-7-10(18)3-5-15(12)20-16(17)21/h2-8,19,22H,1H3,(H,20,21)
InChIKeyLTZJTCCJPAQEIJ-UHFFFAOYSA-N
XLogP2.80
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one (CID 118710068) is 5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one is Cc1ccc2[nH]cc(C3(O)C(=O)Nc4ccc(F)cc43)c2c1.
What is the InChIKey of 5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is LTZJTCCJPAQEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-9-2-4-14-11(6-9)13(8-19-14)17(22)12-7-10(18)3-5-15(12)20-16(17)21/h2-8,19,22H,1H3,(H,20,21).
What are the key properties of 5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one?
5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 296.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 118710068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).