3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C21H17F3N2O2 — CID 117088418

IUPAC3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)cn1
InChIInChI=1S/C21H17F3N2O2/c1-28-19-9-8-17(13-25-19)15-5-3-6-16(11-15)20(27)26-12-14-4-2-7-18(10-14)21(22,23)24/h2-11,13H,12H2,1H3,(H,26,27)
InChIKeyITUHYRTZJVHRNZ-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.71
Rot. Bonds5

About 3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 117088418) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID117088418
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)cn1
InChIInChI=1S/C21H17F3N2O2/c1-28-19-9-8-17(13-25-19)15-5-3-6-16(11-15)20(27)26-12-14-4-2-7-18(10-14)21(22,23)24/h2-11,13H,12H2,1H3,(H,26,27)
InChIKeyITUHYRTZJVHRNZ-UHFFFAOYSA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 117088418) is 3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(-c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is ITUHYRTZJVHRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-28-19-9-8-17(13-25-19)15-5-3-6-16(11-15)20(27)26-12-14-4-2-7-18(10-14)21(22,23)24/h2-11,13H,12H2,1H3,(H,26,27).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 386.37 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 117088418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).