N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide

C19H19FN2O3 — CID 123887129

IUPACN-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide
SMILESCCNC(=O)c1ccc2c(O)n(Cc3ccc(OC)cc3)cc2c1F
InChIInChI=1S/C19H19FN2O3/c1-3-21-18(23)15-9-8-14-16(17(15)20)11-22(19(14)24)10-12-4-6-13(25-2)7-5-12/h4-9,11,24H,3,10H2,1-2H3,(H,21,23)
InChIKeyYKGRHPKQQFXCOS-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.29
Rot. Bonds5

About N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide

N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide (PubChem CID 123887129) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide
PubChem CID123887129
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide
SMILESCCNC(=O)c1ccc2c(O)n(Cc3ccc(OC)cc3)cc2c1F
InChIInChI=1S/C19H19FN2O3/c1-3-21-18(23)15-9-8-14-16(17(15)20)11-22(19(14)24)10-12-4-6-13(25-2)7-5-12/h4-9,11,24H,3,10H2,1-2H3,(H,21,23)
InChIKeyYKGRHPKQQFXCOS-UHFFFAOYSA-N
XLogP3.29
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide?
The IUPAC name of N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide (CID 123887129) is N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide.
What is the SMILES notation for N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide?
The canonical SMILES for N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide is CCNC(=O)c1ccc2c(O)n(Cc3ccc(OC)cc3)cc2c1F.
What is the InChIKey of N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide?
The InChIKey is YKGRHPKQQFXCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-3-21-18(23)15-9-8-14-16(17(15)20)11-22(19(14)24)10-12-4-6-13(25-2)7-5-12/h4-9,11,24H,3,10H2,1-2H3,(H,21,23).
What are the key properties of N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide?
N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]isoindole-5-carboxamide is sourced from PubChem (CID 123887129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).