3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide

C16H12F2N4O2 — CID 171356767

IUPAC3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2cnc(-c3ccccc3F)n2)c(F)c1
InChIInChI=1S/C16H12F2N4O2/c17-13-4-2-1-3-12(13)15-19-9-22(20-15)8-11-6-5-10(7-14(11)18)16(23)21-24/h1-7,9,24H,8H2,(H,21,23)
InChIKeyWTKSXRWOROTBGM-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.39
Rot. Bonds4

About 3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide

3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 171356767) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is 3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID171356767
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2cnc(-c3ccccc3F)n2)c(F)c1
InChIInChI=1S/C16H12F2N4O2/c17-13-4-2-1-3-12(13)15-19-9-22(20-15)8-11-6-5-10(7-14(11)18)16(23)21-24/h1-7,9,24H,8H2,(H,21,23)
InChIKeyWTKSXRWOROTBGM-UHFFFAOYSA-N
XLogP2.39
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide (CID 171356767) is 3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(Cn2cnc(-c3ccccc3F)n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is WTKSXRWOROTBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-13-4-2-1-3-12(13)15-19-9-22(20-15)8-11-6-5-10(7-14(11)18)16(23)21-24/h1-7,9,24H,8H2,(H,21,23).
What are the key properties of 3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide?
3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 330.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[3-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 171356767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).