N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

C19H19FN2O3 — CID 15990930

IUPACN-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2C1=O
InChIInChI=1S/C19H19FN2O3/c1-12-6-7-14(10-16(12)20)21-18(23)15-5-3-4-13-11-22(8-9-25-2)19(24)17(13)15/h3-7,10H,8-9,11H2,1-2H3,(H,21,23)
InChIKeyYTZFGACYJQRHRN-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.99
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 15990930) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID15990930
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2C1=O
InChIInChI=1S/C19H19FN2O3/c1-12-6-7-14(10-16(12)20)21-18(23)15-5-3-4-13-11-22(8-9-25-2)19(24)17(13)15/h3-7,10H,8-9,11H2,1-2H3,(H,21,23)
InChIKeyYTZFGACYJQRHRN-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (CID 15990930) is N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2C1=O.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is YTZFGACYJQRHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12-6-7-14(10-16(12)20)21-18(23)15-5-3-4-13-11-22(8-9-25-2)19(24)17(13)15/h3-7,10H,8-9,11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 15990930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).