4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C21H16F3NO2 — CID 11703439

IUPAC4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)17-6-4-5-15(13-17)14-25-20(26)16-9-11-19(12-10-16)27-18-7-2-1-3-8-18/h1-13H,14H2,(H,25,26)
InChIKeyFWPNYHMMZRISQJ-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.43
Rot. Bonds5

About 4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 11703439) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID11703439
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC Name4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)17-6-4-5-15(13-17)14-25-20(26)16-9-11-19(12-10-16)27-18-7-2-1-3-8-18/h1-13H,14H2,(H,25,26)
InChIKeyFWPNYHMMZRISQJ-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 11703439) is 4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is FWPNYHMMZRISQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-21(23,24)17-6-4-5-15(13-17)14-25-20(26)16-9-11-19(12-10-16)27-18-7-2-1-3-8-18/h1-13H,14H2,(H,25,26).
What are the key properties of 4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 371.36 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 11703439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).