(3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one

C21H16FNO2 — CID 102344564

IUPAC(3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccc(F)cc2[C@]1(O)c1ccccc1
InChIInChI=1S/C21H16FNO2/c22-17-11-12-19-18(13-17)21(25,16-9-5-2-6-10-16)20(24)23(19)14-15-7-3-1-4-8-15/h1-13,25H,14H2/t21-/m1/s1
InChIKeyKJEUSRJYXBYUPM-OAQYLSRUSA-N
MW333.36 g/mol
LogP3.61
Rot. Bonds3

About (3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one

(3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one (PubChem CID 102344564) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is (3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one
PubChem CID102344564
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name(3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(Cc2ccccc2)c2ccc(F)cc2[C@]1(O)c1ccccc1
InChIInChI=1S/C21H16FNO2/c22-17-11-12-19-18(13-17)21(25,16-9-5-2-6-10-16)20(24)23(19)14-15-7-3-1-4-8-15/h1-13,25H,14H2/t21-/m1/s1
InChIKeyKJEUSRJYXBYUPM-OAQYLSRUSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one?
The IUPAC name of (3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one (CID 102344564) is (3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one.
What is the SMILES notation for (3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one?
The canonical SMILES for (3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one is O=C1N(Cc2ccccc2)c2ccc(F)cc2[C@]1(O)c1ccccc1.
What is the InChIKey of (3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one?
The InChIKey is KJEUSRJYXBYUPM-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16FNO2/c22-17-11-12-19-18(13-17)21(25,16-9-5-2-6-10-16)20(24)23(19)14-15-7-3-1-4-8-15/h1-13,25H,14H2/t21-/m1/s1.
What are the key properties of (3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one?
(3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one has a molecular weight of 333.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-5-fluoro-3-hydroxy-3-phenylindol-2-one is sourced from PubChem (CID 102344564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).