2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C20H12F6N2O2 — CID 10455135

IUPAC2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1O
InChIInChI=1S/C20H12F6N2O2/c21-19(22,23)12-4-6-13(7-5-12)28-18(30)14-8-3-11(10-16(14)29)17-15(20(24,25)26)2-1-9-27-17/h1-10,29H,(H,28,30)
InChIKeyMHHIKAWBIICJFK-UHFFFAOYSA-N
MW426.32 g/mol
LogP5.74
Rot. Bonds3

About 2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 10455135) has the molecular formula C20H12F6N2O2 and a molecular weight of 426.32 g/mol. Its IUPAC name is 2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID10455135
Molecular FormulaC20H12F6N2O2
Molecular Weight426.32 g/mol
Exact Mass426.08
IUPAC Name2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1O
InChIInChI=1S/C20H12F6N2O2/c21-19(22,23)12-4-6-13(7-5-12)28-18(30)14-8-3-11(10-16(14)29)17-15(20(24,25)26)2-1-9-27-17/h1-10,29H,(H,28,30)
InChIKeyMHHIKAWBIICJFK-UHFFFAOYSA-N
XLogP5.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.32
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 10455135) is 2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1O.
What is the InChIKey of 2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is MHHIKAWBIICJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N2O2/c21-19(22,23)12-4-6-13(7-5-12)28-18(30)14-8-3-11(10-16(14)29)17-15(20(24,25)26)2-1-9-27-17/h1-10,29H,(H,28,30).
What are the key properties of 2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 426.32 g/mol, XLogP of 5.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 10455135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).