3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile

C22H15FN2O2 — CID 95095371

IUPAC3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2C(=O)[C@](O)(c3cccc(F)c3)c3ccccc32)c1
InChIInChI=1S/C22H15FN2O2/c23-18-8-4-7-17(12-18)22(27)19-9-1-2-10-20(19)25(21(22)26)14-16-6-3-5-15(11-16)13-24/h1-12,27H,14H2/t22-/m0/s1
InChIKeyCKHZEKWKXUEUPB-QFIPXVFZSA-N
MW358.37 g/mol
LogP3.48
Rot. Bonds3

About 3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile

3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile (PubChem CID 95095371) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile
PubChem CID95095371
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC Name3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2C(=O)[C@](O)(c3cccc(F)c3)c3ccccc32)c1
InChIInChI=1S/C22H15FN2O2/c23-18-8-4-7-17(12-18)22(27)19-9-1-2-10-20(19)25(21(22)26)14-16-6-3-5-15(11-16)13-24/h1-12,27H,14H2/t22-/m0/s1
InChIKeyCKHZEKWKXUEUPB-QFIPXVFZSA-N
XLogP3.48
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 95095514
(3S)-1-[2-(4-fluorophenoxy)ethyl]-3-(3-fluorophenyl)-3-hydroxyindol-2-one
CID 95095417
3-[1-[(3-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 51106033
N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 95095383
3-[[(2S)-3-acetyl-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187427
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one
CID 95095311
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 3708418
1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140
N-(2,6-dimethylphenyl)-2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144194
4-[3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]butanenitrile
CID 54033837
3-[[(8S)-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl]methyl]benzonitrile
CID 59352084
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
CID 95095280

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile (CID 95095371) is 3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile is N#Cc1cccc(CN2C(=O)[C@](O)(c3cccc(F)c3)c3ccccc32)c1.
What is the InChIKey of 3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile?
The InChIKey is CKHZEKWKXUEUPB-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-18-8-4-7-17(12-18)22(27)19-9-1-2-10-20(19)25(21(22)26)14-16-6-3-5-15(11-16)13-24/h1-12,27H,14H2/t22-/m0/s1.
What are the key properties of 3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile?
3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile has a molecular weight of 358.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 95095371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).