4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile

C23H15N3O — CID 175909189

IUPAC4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile
SMILESCN1C(=O)C(c2ccc(C#N)cc2)(c2ccc(C#N)cc2)c2ccccc21
InChIInChI=1S/C23H15N3O/c1-26-21-5-3-2-4-20(21)23(22(26)27,18-10-6-16(14-24)7-11-18)19-12-8-17(15-25)9-13-19/h2-13H,1H3
InChIKeyGVUONXPRSLUDBP-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.74
Rot. Bonds2

About 4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile

4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile (PubChem CID 175909189) has the molecular formula C23H15N3O and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile
PubChem CID175909189
Molecular FormulaC23H15N3O
Molecular Weight349.39 g/mol
Exact Mass349.12
IUPAC Name4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile
SMILESCN1C(=O)C(c2ccc(C#N)cc2)(c2ccc(C#N)cc2)c2ccccc21
InChIInChI=1S/C23H15N3O/c1-26-21-5-3-2-4-20(21)23(22(26)27,18-10-6-16(14-24)7-11-18)19-12-8-17(15-25)9-13-19/h2-13H,1H3
InChIKeyGVUONXPRSLUDBP-UHFFFAOYSA-N
XLogP3.74
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile?
The IUPAC name of 4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile (CID 175909189) is 4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile.
What is the SMILES notation for 4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile?
The canonical SMILES for 4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile is CN1C(=O)C(c2ccc(C#N)cc2)(c2ccc(C#N)cc2)c2ccccc21.
What is the InChIKey of 4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile?
The InChIKey is GVUONXPRSLUDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O/c1-26-21-5-3-2-4-20(21)23(22(26)27,18-10-6-16(14-24)7-11-18)19-12-8-17(15-25)9-13-19/h2-13H,1H3.
What are the key properties of 4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile?
4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile has a molecular weight of 349.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile is sourced from PubChem (CID 175909189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).