2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide

C19H15F3N2O4 — CID 2230211

IUPAC2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide
SMILESCOCCN1C(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2C1=O
InChIInChI=1S/C19H15F3N2O4/c1-28-8-7-24-17(26)14-6-5-11(9-15(14)18(24)27)16(25)23-13-4-2-3-12(10-13)19(20,21)22/h2-6,9-10H,7-8H2,1H3,(H,23,25)
InChIKeyORMQJOCNMURRSX-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.20
Rot. Bonds5

About 2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide

2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide (PubChem CID 2230211) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide
PubChem CID2230211
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Name2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide
SMILESCOCCN1C(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2C1=O
InChIInChI=1S/C19H15F3N2O4/c1-28-8-7-24-17(26)14-6-5-11(9-15(14)18(24)27)16(25)23-13-4-2-3-12(10-13)19(20,21)22/h2-6,9-10H,7-8H2,1H3,(H,23,25)
InChIKeyORMQJOCNMURRSX-UHFFFAOYSA-N
XLogP3.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide (CID 2230211) is 2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide is COCCN1C(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide?
The InChIKey is ORMQJOCNMURRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-28-8-7-24-17(26)14-6-5-11(9-15(14)18(24)27)16(25)23-13-4-2-3-12(10-13)19(20,21)22/h2-6,9-10H,7-8H2,1H3,(H,23,25).
What are the key properties of 2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide?
2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide has a molecular weight of 392.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,3-dioxo-N-[3-(trifluoromethyl)phenyl]isoindole-5-carboxamide is sourced from PubChem (CID 2230211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).