4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide

C17H16F3NO3 — CID 137363359

IUPAC4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3/c1-23-13-6-3-11(4-7-13)16(22)21-10-12-5-8-14(24-2)9-15(12)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyGSFQOVGRFPERPC-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.65
Rot. Bonds5

About 4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide

4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 137363359) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID137363359
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO3/c1-23-13-6-3-11(4-7-13)16(22)21-10-12-5-8-14(24-2)9-15(12)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyGSFQOVGRFPERPC-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide (CID 137363359) is 4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is GSFQOVGRFPERPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-23-13-6-3-11(4-7-13)16(22)21-10-12-5-8-14(24-2)9-15(12)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of 4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide?
4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 339.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 137363359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).