4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide

C21H17F3N2O2 — CID 166100381

IUPAC4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(C(O)c3cccc(C(F)(F)F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C21H17F3N2O2/c1-12-9-13(5-6-17(12)20(25)28)18-11-15(7-8-26-18)19(27)14-3-2-4-16(10-14)21(22,23)24/h2-11,19,27H,1H3,(H2,25,28)
InChIKeyBWDXHDYIYTZDCF-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.26
Rot. Bonds4

About 4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide

4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide (PubChem CID 166100381) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide
PubChem CID166100381
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(C(O)c3cccc(C(F)(F)F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C21H17F3N2O2/c1-12-9-13(5-6-17(12)20(25)28)18-11-15(7-8-26-18)19(27)14-3-2-4-16(10-14)21(22,23)24/h2-11,19,27H,1H3,(H2,25,28)
InChIKeyBWDXHDYIYTZDCF-UHFFFAOYSA-N
XLogP4.26
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide (CID 166100381) is 4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide is Cc1cc(-c2cc(C(O)c3cccc(C(F)(F)F)c3)ccn2)ccc1C(N)=O.
What is the InChIKey of 4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide?
The InChIKey is BWDXHDYIYTZDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-12-9-13(5-6-17(12)20(25)28)18-11-15(7-8-26-18)19(27)14-3-2-4-16(10-14)21(22,23)24/h2-11,19,27H,1H3,(H2,25,28).
What are the key properties of 4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide?
4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide has a molecular weight of 386.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 166100381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).