2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione

C22H17BrN2O2 — CID 160637692

IUPAC2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(Cc1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C22H17BrN2O2/c23-18-11-15(12-24-13-18)10-17(16-6-2-1-3-7-16)14-25-21(26)19-8-4-5-9-20(19)22(25)27/h1-9,11-13,17H,10,14H2
InChIKeyRITFRLKFTKIDDB-UHFFFAOYSA-N
MW421.29 g/mol
LogP4.47
Rot. Bonds5

About 2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione

2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione (PubChem CID 160637692) has the molecular formula C22H17BrN2O2 and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione
PubChem CID160637692
Molecular FormulaC22H17BrN2O2
Molecular Weight421.29 g/mol
Exact Mass420.05
IUPAC Name2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(Cc1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C22H17BrN2O2/c23-18-11-15(12-24-13-18)10-17(16-6-2-1-3-7-16)14-25-21(26)19-8-4-5-9-20(19)22(25)27/h1-9,11-13,17H,10,14H2
InChIKeyRITFRLKFTKIDDB-UHFFFAOYSA-N
XLogP4.47
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134814226
2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione
CID 709455
N-benzyl-1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolinecarboxamide
CID 1026487
2-cyclohexyl-3-oxo-N-(pyridin-3-ylmethyl)isoindoline-4-carboxamide
CID 3236714
N-(4-fluorobenzyl)-3-oxo-2-(pyridin-3-ylmethyl)isoindoline-4-carboxamide
CID 16193550
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
N-[(3-bromophenyl)methyl]-3-oxo-2-(2-pyridin-2-ylethyl)-1H-isoindole-1-carboxamide
CID 44543783
n-(4-Bromobenzyl)-3-oxo-2-(2-(pyridin-2-yl)ethyl)isoindoline-1-carboxamide
CID 44543784
2-[4-(Pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione
CID 628785
N-(4-bromo-2-((1,3-dioxoisoindolin-2-yl)methyl)phenyl)picolinamide
CID 44398255
N-[4-[2-(5-bromo-1,3-dihydroisoindol-2-yl)ethyl]cyclohexyl]-3-pyridin-3-ylbenzamide;hydrochloride
CID 44533743
5-(Phenylethynyl)-2-(2-(pyridin-2-yl)ethyl)isoindoline-1,3-dione
CID 53319937

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione (CID 160637692) is 2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(Cc1cncc(Br)c1)c1ccccc1.
What is the InChIKey of 2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione?
The InChIKey is RITFRLKFTKIDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O2/c23-18-11-15(12-24-13-18)10-17(16-6-2-1-3-7-16)14-25-21(26)19-8-4-5-9-20(19)22(25)27/h1-9,11-13,17H,10,14H2.
What are the key properties of 2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione?
2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione has a molecular weight of 421.29 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-bromo-3-pyridinyl)-2-phenylpropyl]isoindole-1,3-dione is sourced from PubChem (CID 160637692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).