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

C18H17FN2O3 — CID 46253873

IUPACN-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3cccc(F)c3)c2C1=O
InChIInChI=1S/C18H17FN2O3/c1-24-9-8-21-11-12-4-2-7-15(16(12)18(21)23)17(22)20-14-6-3-5-13(19)10-14/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyZHCCUIJDLVROCN-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.68
Rot. Bonds5

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

N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 46253873) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID46253873
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3cccc(F)c3)c2C1=O
InChIInChI=1S/C18H17FN2O3/c1-24-9-8-21-11-12-4-2-7-15(16(12)18(21)23)17(22)20-14-6-3-5-13(19)10-14/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyZHCCUIJDLVROCN-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (CID 46253873) is N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3cccc(F)c3)c2C1=O.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is ZHCCUIJDLVROCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-24-9-8-21-11-12-4-2-7-15(16(12)18(21)23)17(22)20-14-6-3-5-13(19)10-14/h2-7,10H,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 46253873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).