2-(3-chlorophenyl)-1,3-dihydroisoindole

C14H12ClN — CID 615107

IUPAC2-(3-chlorophenyl)-1,3-dihydroisoindole
SMILESClc1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C14H12ClN/c15-13-6-3-7-14(8-13)16-9-11-4-1-2-5-12(11)10-16/h1-8H,9-10H2
InChIKeyBNWJILALOIXNNN-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.86
Rot. Bonds1

About 2-(3-chlorophenyl)-1,3-dihydroisoindole

2-(3-chlorophenyl)-1,3-dihydroisoindole (PubChem CID 615107) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,3-dihydroisoindole
PubChem CID615107
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name2-(3-chlorophenyl)-1,3-dihydroisoindole
SMILESClc1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C14H12ClN/c15-13-6-3-7-14(8-13)16-9-11-4-1-2-5-12(11)10-16/h1-8H,9-10H2
InChIKeyBNWJILALOIXNNN-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-chlorophenyl)-1,3-dihydroisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(3-chlorophenyl)-1,3-dihydroisoindole (CID 615107) is 2-(3-chlorophenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(3-chlorophenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(3-chlorophenyl)-1,3-dihydroisoindole is Clc1cccc(N2Cc3ccccc3C2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1,3-dihydroisoindole?
The InChIKey is BNWJILALOIXNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN/c15-13-6-3-7-14(8-13)16-9-11-4-1-2-5-12(11)10-16/h1-8H,9-10H2.
What are the key properties of 2-(3-chlorophenyl)-1,3-dihydroisoindole?
2-(3-chlorophenyl)-1,3-dihydroisoindole has a molecular weight of 229.71 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 615107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).