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

C16H13FN4O2 — CID 141289595

IUPAC3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(Cn2cc(-c3ccccc3F)nn2)c1
InChIInChI=1S/C16H13FN4O2/c17-14-7-2-1-6-13(14)15-10-21(20-18-15)9-11-4-3-5-12(8-11)16(22)19-23/h1-8,10,23H,9H2,(H,19,22)
InChIKeyJYYNDJFNWUKNLJ-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.25
Rot. Bonds4

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

3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 141289595) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID141289595
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(Cn2cc(-c3ccccc3F)nn2)c1
InChIInChI=1S/C16H13FN4O2/c17-14-7-2-1-6-13(14)15-10-21(20-18-15)9-11-4-3-5-12(8-11)16(22)19-23/h1-8,10,23H,9H2,(H,19,22)
InChIKeyJYYNDJFNWUKNLJ-UHFFFAOYSA-N
XLogP2.25
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.25
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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Related Compounds

2-(1-benzyltriazol-4-yl)benzaldehyde
CID 86652420
N-(3-aminopropyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119406415
1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide
CID 32637465
1-benzyl-4-[4-fluoro-2-(2-methylprop-1-enyl)phenyl]triazole
CID 135057883
1-benzyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 31772694
1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 18152232
1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
1-benzyl-N-(3-chloro-4-fluorophenyl)triazole-4-carboxamide
CID 18146618
1-benzyl-N-(4-chloro-2-fluorophenyl)triazole-4-carboxamide
CID 18152200
N-hydroxy-4-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
CID 50991199
1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide
CID 25333094
4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide
CID 87527968

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide (CID 141289595) is 3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1cccc(Cn2cc(-c3ccccc3F)nn2)c1.
What is the InChIKey of 3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is JYYNDJFNWUKNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-14-7-2-1-6-13(14)15-10-21(20-18-15)9-11-4-3-5-12(8-11)16(22)19-23/h1-8,10,23H,9H2,(H,19,22).
What are the key properties of 3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide?
3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 312.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 141289595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).