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

C19H13F3N2O2 — CID 2814190

IUPACN-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)c1ccccc1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)14-7-4-8-16(11-14)26-17-10-9-15(12-23-17)24-18(25)13-5-2-1-3-6-13/h1-12H,(H,24,25)
InChIKeyHRTGYNGWKGLHFI-UHFFFAOYSA-N
MW358.32 g/mol
LogP5.14
Rot. Bonds4

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

N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide (PubChem CID 2814190) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide
PubChem CID2814190
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC NameN-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)c1ccccc1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)14-7-4-8-16(11-14)26-17-10-9-15(12-23-17)24-18(25)13-5-2-1-3-6-13/h1-12H,(H,24,25)
InChIKeyHRTGYNGWKGLHFI-UHFFFAOYSA-N
XLogP5.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
The IUPAC name of N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide (CID 2814190) is N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide is O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)c1ccccc1.
What is the InChIKey of N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
The InChIKey is HRTGYNGWKGLHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)14-7-4-8-16(11-14)26-17-10-9-15(12-23-17)24-18(25)13-5-2-1-3-6-13/h1-12H,(H,24,25).
What are the key properties of N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide?
N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide has a molecular weight of 358.32 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]benzamide is sourced from PubChem (CID 2814190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).