2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole

C15H13BrFN — CID 62205217

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole
SMILESFc1ccc(CN2Cc3ccccc3C2)c(Br)c1
InChIInChI=1S/C15H13BrFN/c16-15-7-14(17)6-5-13(15)10-18-8-11-3-1-2-4-12(11)9-18/h1-7H,8-10H2
InChIKeyCYZOHUUQZNHWSY-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.10
Rot. Bonds2

About 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole

2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole (PubChem CID 62205217) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole
PubChem CID62205217
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole
SMILESFc1ccc(CN2Cc3ccccc3C2)c(Br)c1
InChIInChI=1S/C15H13BrFN/c16-15-7-14(17)6-5-13(15)10-18-8-11-3-1-2-4-12(11)9-18/h1-7H,8-10H2
InChIKeyCYZOHUUQZNHWSY-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole (CID 62205217) is 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole is Fc1ccc(CN2Cc3ccccc3C2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole?
The InChIKey is CYZOHUUQZNHWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN/c16-15-7-14(17)6-5-13(15)10-18-8-11-3-1-2-4-12(11)9-18/h1-7H,8-10H2.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole?
2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole has a molecular weight of 306.18 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 62205217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).