1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one

C29H22FNO3 — CID 68597999

IUPAC1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one
SMILESO=C1C(c2cc3c(cc2O)OCC3)c2ccc(F)cc2N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H22FNO3/c30-21-11-12-22-24(16-21)31(28(18-7-3-1-4-8-18)19-9-5-2-6-10-19)29(33)27(22)23-15-20-13-14-34-26(20)17-25(23)32/h1-12,15-17,27-28,32H,13-14H2
InChIKeyUROJSBQDEKIDDY-UHFFFAOYSA-N
MW451.50 g/mol
LogP5.73
Rot. Bonds4

About 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one

1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one (PubChem CID 68597999) has the molecular formula C29H22FNO3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one
PubChem CID68597999
Molecular FormulaC29H22FNO3
Molecular Weight451.50 g/mol
Exact Mass451.16
IUPAC Name1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one
SMILESO=C1C(c2cc3c(cc2O)OCC3)c2ccc(F)cc2N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H22FNO3/c30-21-11-12-22-24(16-21)31(28(18-7-3-1-4-8-18)19-9-5-2-6-10-19)29(33)27(22)23-15-20-13-14-34-26(20)17-25(23)32/h1-12,15-17,27-28,32H,13-14H2
InChIKeyUROJSBQDEKIDDY-UHFFFAOYSA-N
XLogP5.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.50
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one?
The IUPAC name of 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one (CID 68597999) is 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one.
What is the SMILES notation for 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one?
The canonical SMILES for 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one is O=C1C(c2cc3c(cc2O)OCC3)c2ccc(F)cc2N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one?
The InChIKey is UROJSBQDEKIDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FNO3/c30-21-11-12-22-24(16-21)31(28(18-7-3-1-4-8-18)19-9-5-2-6-10-19)29(33)27(22)23-15-20-13-14-34-26(20)17-25(23)32/h1-12,15-17,27-28,32H,13-14H2.
What are the key properties of 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one?
1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one has a molecular weight of 451.50 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-6-fluoro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one is sourced from PubChem (CID 68597999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).