N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C18H12F5N3O2 — CID 54596413

IUPACN-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)c(O)c1
InChIInChI=1S/C18H12F5N3O2/c1-26-13(8-15(25-26)18(21,22)23)9-5-6-10(14(27)7-9)17(28)24-16-11(19)3-2-4-12(16)20/h2-8,27H,1H3,(H,24,28)
InChIKeyCCWOFQUECLCLGJ-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.34
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 54596413) has the molecular formula C18H12F5N3O2 and a molecular weight of 397.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID54596413
Molecular FormulaC18H12F5N3O2
Molecular Weight397.30 g/mol
Exact Mass397.08
IUPAC NameN-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)c(O)c1
InChIInChI=1S/C18H12F5N3O2/c1-26-13(8-15(25-26)18(21,22)23)9-5-6-10(14(27)7-9)17(28)24-16-11(19)3-2-4-12(16)20/h2-8,27H,1H3,(H,24,28)
InChIKeyCCWOFQUECLCLGJ-UHFFFAOYSA-N
XLogP4.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 54596413) is N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)c(O)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is CCWOFQUECLCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O2/c1-26-13(8-15(25-26)18(21,22)23)9-5-6-10(14(27)7-9)17(28)24-16-11(19)3-2-4-12(16)20/h2-8,27H,1H3,(H,24,28).
What are the key properties of N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 397.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 54596413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).