2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile

C23H18N2O2 — CID 95095278

IUPAC2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile
SMILESCc1ccc([C@]2(O)C(=O)N(Cc3ccccc3C#N)c3ccccc32)cc1
InChIInChI=1S/C23H18N2O2/c1-16-10-12-19(13-11-16)23(27)20-8-4-5-9-21(20)25(22(23)26)15-18-7-3-2-6-17(18)14-24/h2-13,27H,15H2,1H3/t23-/m1/s1
InChIKeyRDXMXQGYEFNBET-HSZRJFAPSA-N
MW354.41 g/mol
LogP3.65
Rot. Bonds3

About 2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile

2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile (PubChem CID 95095278) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile
PubChem CID95095278
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile
SMILESCc1ccc([C@]2(O)C(=O)N(Cc3ccccc3C#N)c3ccccc32)cc1
InChIInChI=1S/C23H18N2O2/c1-16-10-12-19(13-11-16)23(27)20-8-4-5-9-21(20)25(22(23)26)15-18-7-3-2-6-17(18)14-24/h2-13,27H,15H2,1H3/t23-/m1/s1
InChIKeyRDXMXQGYEFNBET-HSZRJFAPSA-N
XLogP3.65
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
CID 95095280
2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 95095302
N-(2-fluorophenyl)-2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 53144139
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095250
3-(1,3-benzodioxol-5-yl)-1-[(2-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 58872481
2-[[3-[(2-cyanophenyl)methyl]-4,5-dimethyl-2-oxoimidazol-1-yl]methyl]benzonitrile
CID 67586386
methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate
CID 53144125
3-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 12004190
3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one
CID 155092280
2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile
CID 2205069
3-[[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]methyl]benzonitrile
CID 95095371
2-[(7-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile
CID 93212054

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile (CID 95095278) is 2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile is Cc1ccc([C@]2(O)C(=O)N(Cc3ccccc3C#N)c3ccccc32)cc1.
What is the InChIKey of 2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile?
The InChIKey is RDXMXQGYEFNBET-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16-10-12-19(13-11-16)23(27)20-8-4-5-9-21(20)25(22(23)26)15-18-7-3-2-6-17(18)14-24/h2-13,27H,15H2,1H3/t23-/m1/s1.
What are the key properties of 2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile?
2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile has a molecular weight of 354.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 95095278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).