2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C13H13F2N3O2 — CID 47465833

IUPAC2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C13H13F2N3O2/c1-17(6-8-5-16-18(2)7-8)13(20)12-10(15)3-9(14)4-11(12)19/h3-5,7,19H,6H2,1-2H3
InChIKeyHUVMXJMGEZKJNE-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.68
Rot. Bonds3

About 2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 47465833) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID47465833
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C13H13F2N3O2/c1-17(6-8-5-16-18(2)7-8)13(20)12-10(15)3-9(14)4-11(12)19/h3-5,7,19H,6H2,1-2H3
InChIKeyHUVMXJMGEZKJNE-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 47465833) is 2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1c(O)cc(F)cc1F.
What is the InChIKey of 2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is HUVMXJMGEZKJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-17(6-8-5-16-18(2)7-8)13(20)12-10(15)3-9(14)4-11(12)19/h3-5,7,19H,6H2,1-2H3.
What are the key properties of 2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 281.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 47465833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).