2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide

C16H15F3N2O3 — CID 37297652

IUPAC2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
SMILESCc1ccc(O)c(C(=O)NCc2cccnc2OCC(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O3/c1-10-4-5-13(22)12(7-10)14(23)21-8-11-3-2-6-20-15(11)24-9-16(17,18)19/h2-7,22H,8-9H2,1H3,(H,21,23)
InChIKeyQZHWWBSXCTUGDS-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.97
Rot. Bonds5

About 2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide

2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide (PubChem CID 37297652) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
PubChem CID37297652
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
SMILESCc1ccc(O)c(C(=O)NCc2cccnc2OCC(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O3/c1-10-4-5-13(22)12(7-10)14(23)21-8-11-3-2-6-20-15(11)24-9-16(17,18)19/h2-7,22H,8-9H2,1H3,(H,21,23)
InChIKeyQZHWWBSXCTUGDS-UHFFFAOYSA-N
XLogP2.97
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide (CID 37297652) is 2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide is Cc1ccc(O)c(C(=O)NCc2cccnc2OCC(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide?
The InChIKey is QZHWWBSXCTUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-10-4-5-13(22)12(7-10)14(23)21-8-11-3-2-6-20-15(11)24-9-16(17,18)19/h2-7,22H,8-9H2,1H3,(H,21,23).
What are the key properties of 2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide?
2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide has a molecular weight of 340.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 37297652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).