5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole

C23H20ClN — CID 166809089

IUPAC5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole
SMILESClc1c(-c2ccc3c(c2)CNC3)cccc1-c1cccc2c1CCC2
InChIInChI=1S/C23H20ClN/c24-23-20(16-10-11-17-13-25-14-18(17)12-16)7-3-9-22(23)21-8-2-5-15-4-1-6-19(15)21/h2-3,5,7-12,25H,1,4,6,13-14H2
InChIKeyARVLLGNXCWJAPV-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.77
Rot. Bonds2

About 5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole

5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole (PubChem CID 166809089) has the molecular formula C23H20ClN and a molecular weight of 345.87 g/mol. Its IUPAC name is 5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole
PubChem CID166809089
Molecular FormulaC23H20ClN
Molecular Weight345.87 g/mol
Exact Mass345.13
IUPAC Name5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole
SMILESClc1c(-c2ccc3c(c2)CNC3)cccc1-c1cccc2c1CCC2
InChIInChI=1S/C23H20ClN/c24-23-20(16-10-11-17-13-25-14-18(17)12-16)7-3-9-22(23)21-8-2-5-15-4-1-6-19(15)21/h2-3,5,7-12,25H,1,4,6,13-14H2
InChIKeyARVLLGNXCWJAPV-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole (CID 166809089) is 5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole is Clc1c(-c2ccc3c(c2)CNC3)cccc1-c1cccc2c1CCC2.
What is the InChIKey of 5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole?
The InChIKey is ARVLLGNXCWJAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN/c24-23-20(16-10-11-17-13-25-14-18(17)12-16)7-3-9-22(23)21-8-2-5-15-4-1-6-19(15)21/h2-3,5,7-12,25H,1,4,6,13-14H2.
What are the key properties of 5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole?
5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole has a molecular weight of 345.87 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 166809089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).