2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one

C24H19NO2 — CID 132597816

IUPAC2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2C2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C24H19NO2/c1-15-10-12-17(13-11-15)25-22(19-8-4-5-9-20(19)24(25)27)21-14-16-6-2-3-7-18(16)23(21)26/h2-13,21-22H,14H2,1H3
InChIKeyGUUKDFXKERVAIY-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.75
Rot. Bonds2

About 2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one

2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one (PubChem CID 132597816) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one
PubChem CID132597816
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2C2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C24H19NO2/c1-15-10-12-17(13-11-15)25-22(19-8-4-5-9-20(19)24(25)27)21-14-16-6-2-3-7-18(16)23(21)26/h2-13,21-22H,14H2,1H3
InChIKeyGUUKDFXKERVAIY-UHFFFAOYSA-N
XLogP4.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid
CID 10588897
3-ethenyl-2-(4-methylphenyl)-3H-isoindol-1-one
CID 141288135
2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 11644682
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one
CID 134845714
2-[(2R,3R)-2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
CID 92976701
2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
CID 168865064
(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
CID 8003279
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544000
(3S,4R)-4-hydroxy-2,3-diphenyl-3,4-dihydroisoquinolin-1-one
CID 12694467
3-methyl-2-phenyl-3H-isoindol-1-one
CID 77321991

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one (CID 132597816) is 2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one is Cc1ccc(N2C(=O)c3ccccc3C2C2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one?
The InChIKey is GUUKDFXKERVAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-15-10-12-17(13-11-15)25-22(19-8-4-5-9-20(19)24(25)27)21-14-16-6-2-3-7-18(16)23(21)26/h2-13,21-22H,14H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one?
2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one has a molecular weight of 353.42 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one is sourced from PubChem (CID 132597816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).