1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one

C24H19FN2O3 — CID 71729331

IUPAC1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one
SMILESCN1C(=O)C(C2(O)C(=O)N(Cc3ccccc3)c3cc(F)ccc32)c2ccccc21
InChIInChI=1S/C24H19FN2O3/c1-26-19-10-6-5-9-17(19)21(22(26)28)24(30)18-12-11-16(25)13-20(18)27(23(24)29)14-15-7-3-2-4-8-15/h2-13,21,30H,14H2,1H3
InChIKeyMYFZWVCQIUOCKS-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.32
Rot. Bonds3

About 1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one

1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one (PubChem CID 71729331) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one.

Molecular Properties

Compound Name1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one
PubChem CID71729331
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one
SMILESCN1C(=O)C(C2(O)C(=O)N(Cc3ccccc3)c3cc(F)ccc32)c2ccccc21
InChIInChI=1S/C24H19FN2O3/c1-26-19-10-6-5-9-17(19)21(22(26)28)24(30)18-12-11-16(25)13-20(18)27(23(24)29)14-15-7-3-2-4-8-15/h2-13,21,30H,14H2,1H3
InChIKeyMYFZWVCQIUOCKS-UHFFFAOYSA-N
XLogP3.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one?
The IUPAC name of 1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one (CID 71729331) is 1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one.
What is the SMILES notation for 1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one?
The canonical SMILES for 1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one is CN1C(=O)C(C2(O)C(=O)N(Cc3ccccc3)c3cc(F)ccc32)c2ccccc21.
What is the InChIKey of 1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one?
The InChIKey is MYFZWVCQIUOCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-26-19-10-6-5-9-17(19)21(22(26)28)24(30)18-12-11-16(25)13-20(18)27(23(24)29)14-15-7-3-2-4-8-15/h2-13,21,30H,14H2,1H3.
What are the key properties of 1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one?
1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one has a molecular weight of 402.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-fluoro-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)indol-2-one is sourced from PubChem (CID 71729331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).