2-(4-bromophenyl)-1,3-dihydroisoindole

C14H12BrN — CID 3713878

IUPAC2-(4-bromophenyl)-1,3-dihydroisoindole
SMILESBrc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C14H12BrN/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-16/h1-8H,9-10H2
InChIKeyAOTLWDQSZSDCEF-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.97
Rot. Bonds1

About 2-(4-bromophenyl)-1,3-dihydroisoindole

2-(4-bromophenyl)-1,3-dihydroisoindole (PubChem CID 3713878) has the molecular formula C14H12BrN and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,3-dihydroisoindole
PubChem CID3713878
Molecular FormulaC14H12BrN
Molecular Weight274.16 g/mol
Exact Mass273.02
IUPAC Name2-(4-bromophenyl)-1,3-dihydroisoindole
SMILESBrc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C14H12BrN/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-16/h1-8H,9-10H2
InChIKeyAOTLWDQSZSDCEF-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(4-bromophenyl)-1,3-dihydroisoindole (CID 3713878) is 2-(4-bromophenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(4-bromophenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(4-bromophenyl)-1,3-dihydroisoindole is Brc1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1,3-dihydroisoindole?
The InChIKey is AOTLWDQSZSDCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-16/h1-8H,9-10H2.
What are the key properties of 2-(4-bromophenyl)-1,3-dihydroisoindole?
2-(4-bromophenyl)-1,3-dihydroisoindole has a molecular weight of 274.16 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 3713878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).