2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole

C19H18BrF2N — CID 150467863

IUPAC2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole
SMILESFc1cc(C2CCC(N3Cc4ccccc4C3)C2)c(F)cc1Br
InChIInChI=1S/C19H18BrF2N/c20-17-9-18(21)16(8-19(17)22)12-5-6-15(7-12)23-10-13-3-1-2-4-14(13)11-23/h1-4,8-9,12,15H,5-7,10-11H2
InChIKeyHREBZOUSUIJLPX-UHFFFAOYSA-N
MW378.26 g/mol
LogP5.38
Rot. Bonds2

About 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole

2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole (PubChem CID 150467863) has the molecular formula C19H18BrF2N and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole
PubChem CID150467863
Molecular FormulaC19H18BrF2N
Molecular Weight378.26 g/mol
Exact Mass377.06
IUPAC Name2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole
SMILESFc1cc(C2CCC(N3Cc4ccccc4C3)C2)c(F)cc1Br
InChIInChI=1S/C19H18BrF2N/c20-17-9-18(21)16(8-19(17)22)12-5-6-15(7-12)23-10-13-3-1-2-4-14(13)11-23/h1-4,8-9,12,15H,5-7,10-11H2
InChIKeyHREBZOUSUIJLPX-UHFFFAOYSA-N
XLogP5.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-(4'-bromophenyl)-1-indanamine
CID 182582
1-[(4-Bromophenyl)methyl]-2-(4-fluorophenyl)pyrrolidine
CID 20895911
(3R,8aR)-3-(4-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13606120
6-Bromo-4-fluoro-2-trityl-1,3-dihydroisoindole
CID 18629364
(5S,8aR)-5-(4-bromophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 44328978
2-Benzyl-4-bromo-7-fluoroisoindoline
CID 57431196
5-bromo-N-ethyl-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 58614016
1-[1-[4-(4-Bromo-3,5-difluorophenyl)phenyl]ethyl]pyrrolidine
CID 60046861
1-[1-(4'-Bromo-3'-fluoro-biphenyl-4-yl)-ethyl]-pyrrolidine
CID 60046867
1-[1-(4'-Bromo-2',5'-difluoro-biphenyl-4-yl)-ethyl]-pyrrolidine
CID 60046878
1-[1-(4'-Bromo-2'-fluorobiphenyl-4-yl)-ethyl]-pyrrolidine
CID 60046880
2-[(2-Bromo-4-fluorophenyl)methyl]-1,3-dihydroisoindole
CID 62205217

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole (CID 150467863) is 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole is Fc1cc(C2CCC(N3Cc4ccccc4C3)C2)c(F)cc1Br.
What is the InChIKey of 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole?
The InChIKey is HREBZOUSUIJLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2N/c20-17-9-18(21)16(8-19(17)22)12-5-6-15(7-12)23-10-13-3-1-2-4-14(13)11-23/h1-4,8-9,12,15H,5-7,10-11H2.
What are the key properties of 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole?
2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole has a molecular weight of 378.26 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]-1,3-dihydroisoindole is sourced from PubChem (CID 150467863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).