benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate

C24H21NO3 — CID 102261839

IUPACbenzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate
SMILESCc1ccc2c(c1)C(=O)N(c1ccccc1)C2CC(=O)OCc1ccccc1
InChIInChI=1S/C24H21NO3/c1-17-12-13-20-21(14-17)24(27)25(19-10-6-3-7-11-19)22(20)15-23(26)28-16-18-8-4-2-5-9-18/h2-14,22H,15-16H2,1H3
InChIKeyJXGNHFFGCCRDTK-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.83
Rot. Bonds5

About benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate

benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate (PubChem CID 102261839) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate
PubChem CID102261839
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Namebenzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate
SMILESCc1ccc2c(c1)C(=O)N(c1ccccc1)C2CC(=O)OCc1ccccc1
InChIInChI=1S/C24H21NO3/c1-17-12-13-20-21(14-17)24(27)25(19-10-6-3-7-11-19)22(20)15-23(26)28-16-18-8-4-2-5-9-18/h2-14,22H,15-16H2,1H3
InChIKeyJXGNHFFGCCRDTK-UHFFFAOYSA-N
XLogP4.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid
CID 92980378
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benzyl propanoate;hydrochloride
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CID 139045720
benzyl 2-(2-oxocyclobutyl)acetate
CID 58062904
benzyl 2-(4-methylphenyl)sulfanylacetate
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benzyl 2-[(1R,3S)-3-hydroxy-2,2-dimethylcyclopropyl]acetate
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ethyl 4-oxo-1-phenyl-3-phenylmethoxyazetidine-2-carboxylate
CID 102569820
benzyl 2-(3-fluoro-5-oxo-12-phenyl-7H-isoindolo[2,1-b]isoquinolin-7-yl)acetate
CID 53243266
benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 40768017
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate?
The IUPAC name of benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate (CID 102261839) is benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate.
What is the SMILES notation for benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate?
The canonical SMILES for benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate is Cc1ccc2c(c1)C(=O)N(c1ccccc1)C2CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate?
The InChIKey is JXGNHFFGCCRDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-17-12-13-20-21(14-17)24(27)25(19-10-6-3-7-11-19)22(20)15-23(26)28-16-18-8-4-2-5-9-18/h2-14,22H,15-16H2,1H3.
What are the key properties of benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate?
benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate has a molecular weight of 371.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate is sourced from PubChem (CID 102261839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).