2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide

C19H17F3N2O3 — CID 46253522

IUPAC2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2C1=O
InChIInChI=1S/C19H17F3N2O3/c1-27-10-9-24-11-12-5-4-6-13(16(12)18(24)26)17(25)23-15-8-3-2-7-14(15)19(20,21)22/h2-8H,9-11H2,1H3,(H,23,25)
InChIKeyQQXGPVLDEDGKPT-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.56
Rot. Bonds5

About 2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide

2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide (PubChem CID 46253522) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide
PubChem CID46253522
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2C1=O
InChIInChI=1S/C19H17F3N2O3/c1-27-10-9-24-11-12-5-4-6-13(16(12)18(24)26)17(25)23-15-8-3-2-7-14(15)19(20,21)22/h2-8H,9-11H2,1H3,(H,23,25)
InChIKeyQQXGPVLDEDGKPT-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide (CID 46253522) is 2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide?
The InChIKey is QQXGPVLDEDGKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-27-10-9-24-11-12-5-4-6-13(16(12)18(24)26)17(25)23-15-8-3-2-7-14(15)19(20,21)22/h2-8H,9-11H2,1H3,(H,23,25).
What are the key properties of 2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3-oxo-N-[2-(trifluoromethyl)phenyl]-1H-isoindole-4-carboxamide is sourced from PubChem (CID 46253522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).