2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide

C23H23FN2O4 — CID 118336114

IUPAC2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESCCOc1ccc(-c2ncccc2CO)cc1C(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C23H23FN2O4/c1-3-30-20-9-7-16(22-17(14-27)5-4-10-25-22)12-18(20)23(28)26-13-15-6-8-21(29-2)19(24)11-15/h4-12,27H,3,13-14H2,1-2H3,(H,26,28)
InChIKeyWGQPXLQHPHRPGM-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.72
Rot. Bonds8

About 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide

2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide (PubChem CID 118336114) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
PubChem CID118336114
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESCCOc1ccc(-c2ncccc2CO)cc1C(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C23H23FN2O4/c1-3-30-20-9-7-16(22-17(14-27)5-4-10-25-22)12-18(20)23(28)26-13-15-6-8-21(29-2)19(24)11-15/h4-12,27H,3,13-14H2,1-2H3,(H,26,28)
InChIKeyWGQPXLQHPHRPGM-UHFFFAOYSA-N
XLogP3.72
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide (CID 118336114) is 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide is CCOc1ccc(-c2ncccc2CO)cc1C(=O)NCc1ccc(OC)c(F)c1.
What is the InChIKey of 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The InChIKey is WGQPXLQHPHRPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-3-30-20-9-7-16(22-17(14-27)5-4-10-25-22)12-18(20)23(28)26-13-15-6-8-21(29-2)19(24)11-15/h4-12,27H,3,13-14H2,1-2H3,(H,26,28).
What are the key properties of 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide has a molecular weight of 410.45 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 118336114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).