4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile

C26H24FN — CID 143114564

IUPAC4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile
SMILESCc1ccc(C(CC2(F)CC(C)c3ccccc32)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C26H24FN/c1-18-7-11-21(12-8-18)24(22-13-9-20(17-28)10-14-22)16-26(27)15-19(2)23-5-3-4-6-25(23)26/h3-14,19,24H,15-16H2,1-2H3
InChIKeyJVNDBGCJVMFOOZ-UHFFFAOYSA-N
MW369.48 g/mol
LogP6.76
Rot. Bonds4

About 4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile

4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile (PubChem CID 143114564) has the molecular formula C26H24FN and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile
PubChem CID143114564
Molecular FormulaC26H24FN
Molecular Weight369.48 g/mol
Exact Mass369.19
IUPAC Name4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile
SMILESCc1ccc(C(CC2(F)CC(C)c3ccccc32)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C26H24FN/c1-18-7-11-21(12-8-18)24(22-13-9-20(17-28)10-14-22)16-26(27)15-19(2)23-5-3-4-6-25(23)26/h3-14,19,24H,15-16H2,1-2H3
InChIKeyJVNDBGCJVMFOOZ-UHFFFAOYSA-N
XLogP6.76
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile?
The IUPAC name of 4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile (CID 143114564) is 4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile.
What is the SMILES notation for 4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile?
The canonical SMILES for 4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile is Cc1ccc(C(CC2(F)CC(C)c3ccccc32)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile?
The InChIKey is JVNDBGCJVMFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN/c1-18-7-11-21(12-8-18)24(22-13-9-20(17-28)10-14-22)16-26(27)15-19(2)23-5-3-4-6-25(23)26/h3-14,19,24H,15-16H2,1-2H3.
What are the key properties of 4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile?
4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile has a molecular weight of 369.48 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-fluoro-3-methyl-2,3-dihydroinden-1-yl)-1-(4-methylphenyl)ethyl]benzonitrile is sourced from PubChem (CID 143114564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).