3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide

C21H17F3N2O4 — CID 2814200

IUPAC3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)cc1OC
InChIInChI=1S/C21H17F3N2O4/c1-28-17-8-6-13(10-18(17)29-2)20(27)26-15-7-9-19(25-12-15)30-16-5-3-4-14(11-16)21(22,23)24/h3-12H,1-2H3,(H,26,27)
InChIKeyWSZGXSWAFPDLSK-UHFFFAOYSA-N
MW418.37 g/mol
LogP5.16
Rot. Bonds6

About 3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide

3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide (PubChem CID 2814200) has the molecular formula C21H17F3N2O4 and a molecular weight of 418.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide
PubChem CID2814200
Molecular FormulaC21H17F3N2O4
Molecular Weight418.37 g/mol
Exact Mass418.11
IUPAC Name3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)cc1OC
InChIInChI=1S/C21H17F3N2O4/c1-28-17-8-6-13(10-18(17)29-2)20(27)26-15-7-9-19(25-12-15)30-16-5-3-4-14(11-16)21(22,23)24/h3-12H,1-2H3,(H,26,27)
InChIKeyWSZGXSWAFPDLSK-UHFFFAOYSA-N
XLogP5.16
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.37
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide (CID 2814200) is 3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
The InChIKey is WSZGXSWAFPDLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O4/c1-28-17-8-6-13(10-18(17)29-2)20(27)26-15-7-9-19(25-12-15)30-16-5-3-4-14(11-16)21(22,23)24/h3-12H,1-2H3,(H,26,27).
What are the key properties of 3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide has a molecular weight of 418.37 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide is sourced from PubChem (CID 2814200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).