(3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one

C29H24FNO3 — CID 134958641

IUPAC(3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2[C@]1(F)[C@@H](c1ccccc1)[C@H](O)[C@@H](O)c1ccccc1
InChIInChI=1S/C29H24FNO3/c30-29(23-18-10-11-19-24(23)31(28(29)34)22-16-8-3-9-17-22)25(20-12-4-1-5-13-20)27(33)26(32)21-14-6-2-7-15-21/h1-19,25-27,32-33H/t25-,26-,27-,29-/m0/s1
InChIKeyOSGZVTQUFFRSBV-QFVIIZQESA-N
MW453.51 g/mol
LogP5.41
Rot. Bonds6

About (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one

(3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one (PubChem CID 134958641) has the molecular formula C29H24FNO3 and a molecular weight of 453.51 g/mol. Its IUPAC name is (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one.

Molecular Properties

Compound Name(3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one
PubChem CID134958641
Molecular FormulaC29H24FNO3
Molecular Weight453.51 g/mol
Exact Mass453.17
IUPAC Name(3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2[C@]1(F)[C@@H](c1ccccc1)[C@H](O)[C@@H](O)c1ccccc1
InChIInChI=1S/C29H24FNO3/c30-29(23-18-10-11-19-24(23)31(28(29)34)22-16-8-3-9-17-22)25(20-12-4-1-5-13-20)27(33)26(32)21-14-6-2-7-15-21/h1-19,25-27,32-33H/t25-,26-,27-,29-/m0/s1
InChIKeyOSGZVTQUFFRSBV-QFVIIZQESA-N
XLogP5.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-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

Related Compounds

(3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 69158869
2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 91503694
Tert-butyl 5-fluoro-3-(1-hydroxy-1,2-dihydronaphthalen-2-yl)-2-oxo-3-phenylindole-1-carboxylate
CID 176300860
Tert-butyl 3-(6,7-difluoro-1-hydroxy-1,2-dihydronaphthalen-2-yl)-2-oxo-3-phenylindole-1-carboxylate
CID 176300862
(4-fluorophenyl)methyl 3-(1-hydroxy-1,2-dihydronaphthalen-2-yl)-2-oxo-3H-indole-1-carboxylate
CID 176300864
(1R,3R,4R)-1'-benzyl-1-hydroxy-3-phenylspiro[2,3-dihydro-1H-naphthalene-4,3'-indole]-2'-one
CID 134962071
3-Hydroxy-3-(1-hydroxyhexyl)-1-tritylindol-2-one
CID 138964762
(3S,5R,6R)-1'-benzyl-5,6-dihydroxyspiro[cyclohexene-3,3'-indole]-2'-one;hydrate
CID 139089894
5-[(2-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one
CID 82172156
5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one
CID 82172157
1-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one
CID 82172199
1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one
CID 82172200

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one?
The IUPAC name of (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one (CID 134958641) is (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one.
What is the SMILES notation for (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one?
The canonical SMILES for (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one is O=C1N(c2ccccc2)c2ccccc2[C@]1(F)[C@@H](c1ccccc1)[C@H](O)[C@@H](O)c1ccccc1.
What is the InChIKey of (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one?
The InChIKey is OSGZVTQUFFRSBV-QFVIIZQESA-N. The full InChI is InChI=1S/C29H24FNO3/c30-29(23-18-10-11-19-24(23)31(28(29)34)22-16-8-3-9-17-22)25(20-12-4-1-5-13-20)27(33)26(32)21-14-6-2-7-15-21/h1-19,25-27,32-33H/t25-,26-,27-,29-/m0/s1.
What are the key properties of (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one?
(3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one has a molecular weight of 453.51 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one is sourced from PubChem (CID 134958641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).