2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole

C15H13BrFN — CID 57431196

IUPAC2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole
SMILESFc1ccc(Br)c2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H13BrFN/c16-14-6-7-15(17)13-10-18(9-12(13)14)8-11-4-2-1-3-5-11/h1-7H,8-10H2
InChIKeyJXVKICYSCATONC-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.10
Rot. Bonds2

About 2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole

2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole (PubChem CID 57431196) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole
PubChem CID57431196
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC Name2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole
SMILESFc1ccc(Br)c2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H13BrFN/c16-14-6-7-15(17)13-10-18(9-12(13)14)8-11-4-2-1-3-5-11/h1-7H,8-10H2
InChIKeyJXVKICYSCATONC-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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Related Compounds

5-Bromo-2-prop-2-ynyl-1,3-dihydroisoindole
CID 83520986
4-bromo-2,3-dihydro-1H-isoindole
CID 14795870
5-Bromoisoindoline
CID 14795871
6-Bromo-4-fluoro-2,3-dihydro-1H-isoindole
CID 18629358
4-Bromo-Isoindoline HCl
CID 44228644
4-bromo-7-fluoro-2,3-dihydro-1H-isoindole
CID 84049417
6-Bromo-4-fluoro-2,3-dihydro-1H-isoindole hydrochloride
CID 92134872
5-bromo-6-fluoro-2,3-dihydro-1H-isoindole hydrochloride
CID 118482500
Cambridge id 5259116
CID 791409
4-bromo-5-fluoro-2,3-dihydro-1H-isoindole hydrochloride
CID 165805170
2-Benzyl-4-bromo-2,3-dihydro-1H-isoindole
CID 52988158
5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 46256877

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole?
The IUPAC name of 2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole (CID 57431196) is 2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole.
What is the SMILES notation for 2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole?
The canonical SMILES for 2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole is Fc1ccc(Br)c2c1CN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole?
The InChIKey is JXVKICYSCATONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN/c16-14-6-7-15(17)13-10-18(9-12(13)14)8-11-4-2-1-3-5-11/h1-7H,8-10H2.
What are the key properties of 2-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole?
2-benzyl-4-bromo-7-fluoro-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-benzyl-4-bromo-7-fluoro-1,3-dihydroisoindole is sourced from PubChem (CID 57431196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).