2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C18H15F2N3O2 — CID 56800003

IUPAC2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cn1cccn1)c1c(O)cc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c19-14-8-15(20)17(16(24)9-14)18(25)21-10-12-4-1-2-5-13(12)11-23-7-3-6-22-23/h1-9,24H,10-11H2,(H,21,25)
InChIKeyLCGOGNKFNXGJSA-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.85
Rot. Bonds5

About 2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 56800003) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID56800003
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cn1cccn1)c1c(O)cc(F)cc1F
InChIInChI=1S/C18H15F2N3O2/c19-14-8-15(20)17(16(24)9-14)18(25)21-10-12-4-1-2-5-13(12)11-23-7-3-6-22-23/h1-9,24H,10-11H2,(H,21,25)
InChIKeyLCGOGNKFNXGJSA-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 56800003) is 2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1Cn1cccn1)c1c(O)cc(F)cc1F.
What is the InChIKey of 2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is LCGOGNKFNXGJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-14-8-15(20)17(16(24)9-14)18(25)21-10-12-4-1-2-5-13(12)11-23-7-3-6-22-23/h1-9,24H,10-11H2,(H,21,25).
What are the key properties of 2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 343.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 56800003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).