5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole

C15H12BrF2N — CID 171369204

IUPAC5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole
SMILESFc1ccc(F)c(CN2Cc3ccc(Br)cc3C2)c1
InChIInChI=1S/C15H12BrF2N/c16-13-2-1-10-7-19(8-11(10)5-13)9-12-6-14(17)3-4-15(12)18/h1-6H,7-9H2
InChIKeyPUGGWBYQKFNHFT-UHFFFAOYSA-N
MW324.17 g/mol
LogP4.24
Rot. Bonds2

About 5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole

5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole (PubChem CID 171369204) has the molecular formula C15H12BrF2N and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole
PubChem CID171369204
Molecular FormulaC15H12BrF2N
Molecular Weight324.17 g/mol
Exact Mass323.01
IUPAC Name5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole
SMILESFc1ccc(F)c(CN2Cc3ccc(Br)cc3C2)c1
InChIInChI=1S/C15H12BrF2N/c16-13-2-1-10-7-19(8-11(10)5-13)9-12-6-14(17)3-4-15(12)18/h1-6H,7-9H2
InChIKeyPUGGWBYQKFNHFT-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2-[(2,5-difluorophenyl)methyl]-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 5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole (CID 171369204) is 5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole is Fc1ccc(F)c(CN2Cc3ccc(Br)cc3C2)c1.
What is the InChIKey of 5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole?
The InChIKey is PUGGWBYQKFNHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2N/c16-13-2-1-10-7-19(8-11(10)5-13)9-12-6-14(17)3-4-15(12)18/h1-6H,7-9H2.
What are the key properties of 5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole?
5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole has a molecular weight of 324.17 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 171369204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).