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

C17H17BrFN — CID 150527548

IUPAC4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole
SMILESFc1cccc(CCCN2Cc3cccc(Br)c3C2)c1
InChIInChI=1S/C17H17BrFN/c18-17-8-2-6-14-11-20(12-16(14)17)9-3-5-13-4-1-7-15(19)10-13/h1-2,4,6-8,10H,3,5,9,11-12H2
InChIKeyIDDGPRRPOCSBKI-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.54
Rot. Bonds4

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

4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole (PubChem CID 150527548) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole
PubChem CID150527548
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole
SMILESFc1cccc(CCCN2Cc3cccc(Br)c3C2)c1
InChIInChI=1S/C17H17BrFN/c18-17-8-2-6-14-11-20(12-16(14)17)9-3-5-13-4-1-7-15(19)10-13/h1-2,4,6-8,10H,3,5,9,11-12H2
InChIKeyIDDGPRRPOCSBKI-UHFFFAOYSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6R,10bR)-6-(2-bromophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 13903151
rel-(3R,4S)-1-(2-Bromo-6-fluorobenzyl)-N,N-dimethyl-4-phenylpyrrolidin-3-amine
CID 137646599
5-Bromo-2-prop-2-ynyl-1,3-dihydroisoindole
CID 83520986
4-bromo-2,3-dihydro-1H-isoindole
CID 14795870
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-8-bromo-3,4-dihydro-1H-isoquinoline
CID 21962774
2-Benzyl-4-bromo-2,3-dihydro-1H-isoindole
CID 52988158

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole?
The IUPAC name of 4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole (CID 150527548) is 4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole.
What is the SMILES notation for 4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole?
The canonical SMILES for 4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole is Fc1cccc(CCCN2Cc3cccc(Br)c3C2)c1.
What is the InChIKey of 4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole?
The InChIKey is IDDGPRRPOCSBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c18-17-8-2-6-14-11-20(12-16(14)17)9-3-5-13-4-1-7-15(19)10-13/h1-2,4,6-8,10H,3,5,9,11-12H2.
What are the key properties of 4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole?
4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole has a molecular weight of 334.23 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(3-fluorophenyl)propyl]-1,3-dihydroisoindole is sourced from PubChem (CID 150527548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).