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

C19H14BrF2NO2 — CID 14770834

IUPAC2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCC(c2cc(F)c(Br)cc2F)C1
InChIInChI=1S/C19H14BrF2NO2/c20-15-9-16(21)14(8-17(15)22)10-5-6-11(7-10)23-18(24)12-3-1-2-4-13(12)19(23)25/h1-4,8-11H,5-7H2
InChIKeyWBFTZTFLFTTZBL-UHFFFAOYSA-N
MW406.23 g/mol
LogP4.66
Rot. Bonds2

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

2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione (PubChem CID 14770834) has the molecular formula C19H14BrF2NO2 and a molecular weight of 406.23 g/mol. Its IUPAC name is 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione
PubChem CID14770834
Molecular FormulaC19H14BrF2NO2
Molecular Weight406.23 g/mol
Exact Mass405.02
IUPAC Name2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCC(c2cc(F)c(Br)cc2F)C1
InChIInChI=1S/C19H14BrF2NO2/c20-15-9-16(21)14(8-17(15)22)10-5-6-11(7-10)23-18(24)12-3-1-2-4-13(12)19(23)25/h1-4,8-11H,5-7H2
InChIKeyWBFTZTFLFTTZBL-UHFFFAOYSA-N
XLogP4.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5,6,7-tetrafluoro-2-[(1S)-1-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 9883659
(R)-2-(1-phenylethyl)-4,5,6,7-tetrafluoro-1H-isoindole-1,3-dione
CID 464986
4,5,6,7-Tetrafluoro-2-(1-phenylethyl)isoindole-1,3-dione
CID 499999
2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 50943163
2-[(1S)-2,3-Dihydro-1H-inden-1-yl]-4,5,6,7-tetrafluoroisoindole-1,3-dione
CID 44329137
2-(2-Bromobenzyl)isoindoline-1,3-dione
CID 334063
3-(5-Bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)-N~1~-cyclohexylpropanamide
CID 6456979
5-fluoro-2-(4-fluorobenzyl)-1H-isoindole-1,3(2H)-dione
CID 768086
2-[2-(4-bromophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 280603
2-[(4-Bromo-2-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
CID 9978491
2-(2,3-dihydro-1H-inden-2-yl)-4,5,6,7-tetrafluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 44329122
4,5,6,7-tetrafluoro-2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 44328935

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione (CID 14770834) is 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CCC(c2cc(F)c(Br)cc2F)C1.
What is the InChIKey of 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione?
The InChIKey is WBFTZTFLFTTZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF2NO2/c20-15-9-16(21)14(8-17(15)22)10-5-6-11(7-10)23-18(24)12-3-1-2-4-13(12)19(23)25/h1-4,8-11H,5-7H2.
What are the key properties of 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione?
2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione has a molecular weight of 406.23 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromo-2,5-difluorophenyl)cyclopentyl]isoindole-1,3-dione is sourced from PubChem (CID 14770834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).