2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate

C19H16FNO5 — CID 8666836

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1F
InChIInChI=1S/C19H16FNO5/c1-25-16-7-6-12(10-15(16)20)11-17(22)26-9-8-21-18(23)13-4-2-3-5-14(13)19(21)24/h2-7,10H,8-9,11H2,1H3
InChIKeyIOEJPQFBXNHOHU-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.22
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 8666836) has the molecular formula C19H16FNO5 and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID8666836
Molecular FormulaC19H16FNO5
Molecular Weight357.34 g/mol
Exact Mass357.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1F
InChIInChI=1S/C19H16FNO5/c1-25-16-7-6-12(10-15(16)20)11-17(22)26-9-8-21-18(23)13-4-2-3-5-14(13)19(21)24/h2-7,10H,8-9,11H2,1H3
InChIKeyIOEJPQFBXNHOHU-UHFFFAOYSA-N
XLogP2.22
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667415
2-(1,3-dioxoisoindol-2-yl)ethyl 3-fluoro-4-methoxybenzoate
CID 7991343
2-(1,3-dioxoisoindol-2-yl)ethyl-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 8911967
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767496
[4-(2-cyanophenyl)phenyl]methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46511422
methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate
CID 14917019
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667408
[2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667150
(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 23966444
(3,4-dimethoxyphenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9097092
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methoxy-4-methylsulfanylbenzoate
CID 2681863

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate (CID 8666836) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1F.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is IOEJPQFBXNHOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO5/c1-25-16-7-6-12(10-15(16)20)11-17(22)26-9-8-21-18(23)13-4-2-3-5-14(13)19(21)24/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 357.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 8666836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).