4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide

C16H12F2N4O2 — CID 171344502

IUPAC4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2cnc(-c3cc(F)cc(F)c3)n2)cc1
InChIInChI=1S/C16H12F2N4O2/c17-13-5-12(6-14(18)7-13)15-19-9-22(20-15)8-10-1-3-11(4-2-10)16(23)21-24/h1-7,9,24H,8H2,(H,21,23)
InChIKeyDNGDWRMDZHYPCT-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.39
Rot. Bonds4

About 4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide

4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 171344502) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is 4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID171344502
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2cnc(-c3cc(F)cc(F)c3)n2)cc1
InChIInChI=1S/C16H12F2N4O2/c17-13-5-12(6-14(18)7-13)15-19-9-22(20-15)8-10-1-3-11(4-2-10)16(23)21-24/h1-7,9,24H,8H2,(H,21,23)
InChIKeyDNGDWRMDZHYPCT-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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Related Compounds

N-hydroxy-4-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
CID 50991199
N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
CID 71502389
3-(3,4-dichlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19513682
1-[(3,5-difluorophenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 145225019
methyl 1-[(4-fluorophenyl)methyl]-1,2,4-triazole-3-carboxylate
CID 78955711
4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide
CID 174870339
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 11154069
1-[(3-chloro-4-fluorophenyl)methyl]-3-(4-iodophenyl)-1,2,4-triazole
CID 103042259
4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135357638
N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
CID 50991200
4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide
CID 177371892
4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
CID 135269533

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide (CID 171344502) is 4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(Cn2cnc(-c3cc(F)cc(F)c3)n2)cc1.
What is the InChIKey of 4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is DNGDWRMDZHYPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-13-5-12(6-14(18)7-13)15-19-9-22(20-15)8-10-1-3-11(4-2-10)16(23)21-24/h1-7,9,24H,8H2,(H,21,23).
What are the key properties of 4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide?
4-[[3-(3,5-difluorophenyl)-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 4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 171344502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).