2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile

C22H15FN2O — CID 154037238

IUPAC2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile
SMILESN#CCc1cccc(-c2ccc(F)cc2)c1N1C(=O)Cc2ccccc21
InChIInChI=1S/C22H15FN2O/c23-18-10-8-15(9-11-18)19-6-3-5-16(12-13-24)22(19)25-20-7-2-1-4-17(20)14-21(25)26/h1-11H,12,14H2
InChIKeyLRWJKAVPSUKHFS-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.78
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile

2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile (PubChem CID 154037238) has the molecular formula C22H15FN2O and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile
PubChem CID154037238
Molecular FormulaC22H15FN2O
Molecular Weight342.37 g/mol
Exact Mass342.12
IUPAC Name2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile
SMILESN#CCc1cccc(-c2ccc(F)cc2)c1N1C(=O)Cc2ccccc21
InChIInChI=1S/C22H15FN2O/c23-18-10-8-15(9-11-18)19-6-3-5-16(12-13-24)22(19)25-20-7-2-1-4-17(20)14-21(25)26/h1-11H,12,14H2
InChIKeyLRWJKAVPSUKHFS-UHFFFAOYSA-N
XLogP4.78
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
1-(2-chloro-6-methylphenyl)-3H-indol-2-one
CID 70610561
2-(1,3-dioxo-4H-isoquinolin-2-yl)benzonitrile
CID 43089357
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
1-[4-(aminomethyl)phenyl]-3H-indol-2-one
CID 117030089
2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869901
7-(4-fluorophenyl)-3H-1-benzofuran-2-one
CID 159249649
2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile
CID 84776377
1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one
CID 134858041
1-(2,3-dioxoindol-1-yl)-4-(2-oxo-3H-indol-1-yl)indole-2,3-dione
CID 140991595
2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 131870389
2-(2,3-diphenylphenyl)acetonitrile
CID 151704246

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile (CID 154037238) is 2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile is N#CCc1cccc(-c2ccc(F)cc2)c1N1C(=O)Cc2ccccc21.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile?
The InChIKey is LRWJKAVPSUKHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O/c23-18-10-8-15(9-11-18)19-6-3-5-16(12-13-24)22(19)25-20-7-2-1-4-17(20)14-21(25)26/h1-11H,12,14H2.
What are the key properties of 2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile?
2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile has a molecular weight of 342.37 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile is sourced from PubChem (CID 154037238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).