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

C22H18N4O2 — CID 171355650

IUPACN-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2cnc(-c3cccc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C22H18N4O2/c27-22(25-28)18-11-9-16(10-12-18)14-26-15-23-21(24-26)20-8-4-7-19(13-20)17-5-2-1-3-6-17/h1-13,15,28H,14H2,(H,25,27)
InChIKeyJGIFQENMCGNZTI-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.78
Rot. Bonds5

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

N-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide (PubChem CID 171355650) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide
PubChem CID171355650
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2cnc(-c3cccc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C22H18N4O2/c27-22(25-28)18-11-9-16(10-12-18)14-26-15-23-21(24-26)20-8-4-7-19(13-20)17-5-2-1-3-6-17/h1-13,15,28H,14H2,(H,25,27)
InChIKeyJGIFQENMCGNZTI-UHFFFAOYSA-N
XLogP3.78
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.78
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-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide (CID 171355650) is N-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide is O=C(NO)c1ccc(Cn2cnc(-c3cccc(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide?
The InChIKey is JGIFQENMCGNZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-22(25-28)18-11-9-16(10-12-18)14-26-15-23-21(24-26)20-8-4-7-19(13-20)17-5-2-1-3-6-17/h1-13,15,28H,14H2,(H,25,27).
What are the key properties of N-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide?
N-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 3.78, 5 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-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide is sourced from PubChem (CID 171355650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).