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

C18H17FN2O3 — CID 123236500

IUPAC4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide
SMILESCNC(=O)c1ccc2c(O)n(Cc3ccc(OC)cc3)cc2c1F
InChIInChI=1S/C18H17FN2O3/c1-20-17(22)14-8-7-13-15(16(14)19)10-21(18(13)23)9-11-3-5-12(24-2)6-4-11/h3-8,10,23H,9H2,1-2H3,(H,20,22)
InChIKeyNHWIVHBBMSTFAX-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.90
Rot. Bonds4

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

4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide (PubChem CID 123236500) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide
PubChem CID123236500
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide
SMILESCNC(=O)c1ccc2c(O)n(Cc3ccc(OC)cc3)cc2c1F
InChIInChI=1S/C18H17FN2O3/c1-20-17(22)14-8-7-13-15(16(14)19)10-21(18(13)23)9-11-3-5-12(24-2)6-4-11/h3-8,10,23H,9H2,1-2H3,(H,20,22)
InChIKeyNHWIVHBBMSTFAX-UHFFFAOYSA-N
XLogP2.90
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide?
The IUPAC name of 4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide (CID 123236500) is 4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide.
What is the SMILES notation for 4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide?
The canonical SMILES for 4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide is CNC(=O)c1ccc2c(O)n(Cc3ccc(OC)cc3)cc2c1F.
What is the InChIKey of 4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide?
The InChIKey is NHWIVHBBMSTFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-20-17(22)14-8-7-13-15(16(14)19)10-21(18(13)23)9-11-3-5-12(24-2)6-4-11/h3-8,10,23H,9H2,1-2H3,(H,20,22).
What are the key properties of 4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide?
4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-hydroxy-2-[(4-methoxyphenyl)methyl]-N-methylisoindole-5-carboxamide is sourced from PubChem (CID 123236500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).