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

C22H17FN2O3 — CID 15990940

IUPACN-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOc1ccc(N2Cc3cccc(C(=O)Nc4cccc(F)c4)c3C2=O)cc1
InChIInChI=1S/C22H17FN2O3/c1-28-18-10-8-17(9-11-18)25-13-14-4-2-7-19(20(14)22(25)27)21(26)24-16-6-3-5-15(23)12-16/h2-12H,13H2,1H3,(H,24,26)
InChIKeyKPMGDXKMPBBXRZ-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.25
Rot. Bonds4

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

N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 15990940) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID15990940
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC NameN-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOc1ccc(N2Cc3cccc(C(=O)Nc4cccc(F)c4)c3C2=O)cc1
InChIInChI=1S/C22H17FN2O3/c1-28-18-10-8-17(9-11-18)25-13-14-4-2-7-19(20(14)22(25)27)21(26)24-16-6-3-5-15(23)12-16/h2-12H,13H2,1H3,(H,24,26)
InChIKeyKPMGDXKMPBBXRZ-UHFFFAOYSA-N
XLogP4.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.25
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-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 15990940) is N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide is COc1ccc(N2Cc3cccc(C(=O)Nc4cccc(F)c4)c3C2=O)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is KPMGDXKMPBBXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-28-18-10-8-17(9-11-18)25-13-14-4-2-7-19(20(14)22(25)27)21(26)24-16-6-3-5-15(23)12-16/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 15990940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).