3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide

C22H21FN2O2 — CID 53148144

IUPAC3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C22H21FN2O2/c1-14-11-15(2)25-21(16-7-9-19(27-3)10-8-16)20(14)13-24-22(26)17-5-4-6-18(23)12-17/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyRRVRKHGGXUXTBF-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.44
Rot. Bonds5

About 3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide

3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide (PubChem CID 53148144) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide
PubChem CID53148144
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide
SMILESCOc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C22H21FN2O2/c1-14-11-15(2)25-21(16-7-9-19(27-3)10-8-16)20(14)13-24-22(26)17-5-4-6-18(23)12-17/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyRRVRKHGGXUXTBF-UHFFFAOYSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide (CID 53148144) is 3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide is COc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide?
The InChIKey is RRVRKHGGXUXTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-14-11-15(2)25-21(16-7-9-19(27-3)10-8-16)20(14)13-24-22(26)17-5-4-6-18(23)12-17/h4-12H,13H2,1-3H3,(H,24,26).
What are the key properties of 3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide?
3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide has a molecular weight of 364.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 53148144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).