2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione

C19H15F2NO4 — CID 143767872

IUPAC2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione
SMILESC=Cc1ccc(CN2C(=O)c3ccc(OC)c(OC)c3C2=O)c(F)c1F
InChIInChI=1S/C19H15F2NO4/c1-4-10-5-6-11(16(21)15(10)20)9-22-18(23)12-7-8-13(25-2)17(26-3)14(12)19(22)24/h4-8H,1,9H2,2-3H3
InChIKeyCPGODJBPQSEIMT-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.42
Rot. Bonds5

About 2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione

2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione (PubChem CID 143767872) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is 2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione
PubChem CID143767872
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Name2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione
SMILESC=Cc1ccc(CN2C(=O)c3ccc(OC)c(OC)c3C2=O)c(F)c1F
InChIInChI=1S/C19H15F2NO4/c1-4-10-5-6-11(16(21)15(10)20)9-22-18(23)12-7-8-13(25-2)17(26-3)14(12)19(22)24/h4-8H,1,9H2,2-3H3
InChIKeyCPGODJBPQSEIMT-UHFFFAOYSA-N
XLogP3.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.42
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

5-(2-Methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 4988615
2-(1,3-Benzodioxol-5-ylmethyl)isoindole-1,3-dione
CID 714424
N-(2-(3,4-Dimethoxyphenyl)ethyl)phthalimide
CID 3996345
Falipamil
CID 71222
6,7-Dimethoxy-2-(4-methoxyphenyl)isoindolin-1-one
CID 767108
2-[2-(1,3-Dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde
CID 2991897
Methyl 3-phthalimido-3-(3-ethoxy-4-methoxyphenyl)propionate
CID 9821373
2-[(3,4,5-Trimethoxyphenyl)methyl]isoindole-1,3-dione
CID 12250372
2-[(4-Fluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 16733532
2-[2-(4-Hydroxyphenyl)ethyl]-5-methoxy-4-pentyloxyisoindole-1,3-dione
CID 19363420
2-[2-(4-Hydroxyphenyl)ethyl]-5-methoxy-4-pentyloxy-2,3-dihydroisoindol-1-one
CID 19363480
2-[(3-Fluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 24882340

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione?
The IUPAC name of 2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione (CID 143767872) is 2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione.
What is the SMILES notation for 2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione?
The canonical SMILES for 2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione is C=Cc1ccc(CN2C(=O)c3ccc(OC)c(OC)c3C2=O)c(F)c1F.
What is the InChIKey of 2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione?
The InChIKey is CPGODJBPQSEIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c1-4-10-5-6-11(16(21)15(10)20)9-22-18(23)12-7-8-13(25-2)17(26-3)14(12)19(22)24/h4-8H,1,9H2,2-3H3.
What are the key properties of 2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione?
2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione has a molecular weight of 359.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenyl-2,3-difluorophenyl)methyl]-4,5-dimethoxyisoindole-1,3-dione is sourced from PubChem (CID 143767872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).