2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide

C26H18F3NO3 — CID 3322380

IUPAC2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1)c1ccccc1O
InChIInChI=1S/C26H18F3NO3/c27-26(28,29)18-14-15-24(21(16-18)30-25(32)20-11-4-6-12-22(20)31)33-23-13-7-5-10-19(23)17-8-2-1-3-9-17/h1-16,31H,(H,30,32)
InChIKeyIVTOVMABBYGDCU-UHFFFAOYSA-N
MW449.43 g/mol
LogP7.12
Rot. Bonds5

About 2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide

2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 3322380) has the molecular formula C26H18F3NO3 and a molecular weight of 449.43 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID3322380
Molecular FormulaC26H18F3NO3
Molecular Weight449.43 g/mol
Exact Mass449.12
IUPAC Name2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1)c1ccccc1O
InChIInChI=1S/C26H18F3NO3/c27-26(28,29)18-14-15-24(21(16-18)30-25(32)20-11-4-6-12-22(20)31)33-23-13-7-5-10-19(23)17-8-2-1-3-9-17/h1-16,31H,(H,30,32)
InChIKeyIVTOVMABBYGDCU-UHFFFAOYSA-N
XLogP7.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.43
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide (CID 3322380) is 2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IVTOVMABBYGDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3NO3/c27-26(28,29)18-14-15-24(21(16-18)30-25(32)20-11-4-6-12-22(20)31)33-23-13-7-5-10-19(23)17-8-2-1-3-9-17/h1-16,31H,(H,30,32).
What are the key properties of 2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 449.43 g/mol, XLogP of 7.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3322380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).