N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide

C17H16N4O2 — CID 171356766

IUPACN-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide
SMILESCc1cccc(-c2ncn(Cc3ccc(C(=O)NO)cc3)n2)c1
InChIInChI=1S/C17H16N4O2/c1-12-3-2-4-15(9-12)16-18-11-21(19-16)10-13-5-7-14(8-6-13)17(22)20-23/h2-9,11,23H,10H2,1H3,(H,20,22)
InChIKeyNKTFXUHLHFJQGO-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.42
Rot. Bonds4

About N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide

N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide (PubChem CID 171356766) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide
PubChem CID171356766
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide
SMILESCc1cccc(-c2ncn(Cc3ccc(C(=O)NO)cc3)n2)c1
InChIInChI=1S/C17H16N4O2/c1-12-3-2-4-15(9-12)16-18-11-21(19-16)10-13-5-7-14(8-6-13)17(22)20-23/h2-9,11,23H,10H2,1H3,(H,20,22)
InChIKeyNKTFXUHLHFJQGO-UHFFFAOYSA-N
XLogP2.42
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.42
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 N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide (CID 171356766) is N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide is Cc1cccc(-c2ncn(Cc3ccc(C(=O)NO)cc3)n2)c1.
What is the InChIKey of N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide?
The InChIKey is NKTFXUHLHFJQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-3-2-4-15(9-12)16-18-11-21(19-16)10-13-5-7-14(8-6-13)17(22)20-23/h2-9,11,23H,10H2,1H3,(H,20,22).
What are the key properties of N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide?
N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide is sourced from PubChem (CID 171356766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).