2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate

C19H14F3NO4 — CID 7767496

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(Cc1cccc(C(F)(F)F)c1)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H14F3NO4/c20-19(21,22)13-5-3-4-12(10-13)11-16(24)27-9-8-23-17(25)14-6-1-2-7-15(14)18(23)26/h1-7,10H,8-9,11H2
InChIKeyYOWYWGDXYLQPLB-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.09
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 7767496) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID7767496
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(Cc1cccc(C(F)(F)F)c1)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H14F3NO4/c20-19(21,22)13-5-3-4-12(10-13)11-16(24)27-9-8-23-17(25)14-6-1-2-7-15(14)18(23)26/h1-7,10H,8-9,11H2
InChIKeyYOWYWGDXYLQPLB-UHFFFAOYSA-N
XLogP3.09
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3,4-dimethoxyphenyl)acetate
CID 3542675
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8666836
methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate
CID 14917019
[3-(trifluoromethyl)phenyl]methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816578
2-(1,3-dioxoisoindol-2-yl)ethyl 3,3-dimethylbutanoate
CID 52887662
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate
CID 7984738
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111267509
2-(1,3-dioxoisoindol-2-yl)ethyl (2R)-2-(2,2,2-trifluoroethoxy)propanoate
CID 99803552
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013675
methyl 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetate
CID 22985467
(4-carbamoylphenyl) 2-[3-(trifluoromethyl)phenyl]acetate
CID 8803312

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate (CID 7767496) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate is O=C(Cc1cccc(C(F)(F)F)c1)OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is YOWYWGDXYLQPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c20-19(21,22)13-5-3-4-12(10-13)11-16(24)27-9-8-23-17(25)14-6-1-2-7-15(14)18(23)26/h1-7,10H,8-9,11H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 377.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 7767496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).