N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide

C23H21N5O2 — CID 164620931

IUPACN-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
SMILESCc1ccc(-c2nc(CNc3ccc(C(=O)NO)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H21N5O2/c1-16-7-9-17(10-8-16)22-25-21(28(26-22)20-5-3-2-4-6-20)15-24-19-13-11-18(12-14-19)23(29)27-30/h2-14,24,30H,15H2,1H3,(H,27,29)
InChIKeyLLYCUYLVFISFSX-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.97
Rot. Bonds6

About N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide

N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide (PubChem CID 164620931) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
PubChem CID164620931
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
SMILESCc1ccc(-c2nc(CNc3ccc(C(=O)NO)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H21N5O2/c1-16-7-9-17(10-8-16)22-25-21(28(26-22)20-5-3-2-4-6-20)15-24-19-13-11-18(12-14-19)23(29)27-30/h2-14,24,30H,15H2,1H3,(H,27,29)
InChIKeyLLYCUYLVFISFSX-UHFFFAOYSA-N
XLogP3.97
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide?
The IUPAC name of N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide (CID 164620931) is N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide.
What is the SMILES notation for N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide?
The canonical SMILES for N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide is Cc1ccc(-c2nc(CNc3ccc(C(=O)NO)cc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide?
The InChIKey is LLYCUYLVFISFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-16-7-9-17(10-8-16)22-25-21(28(26-22)20-5-3-2-4-6-20)15-24-19-13-11-18(12-14-19)23(29)27-30/h2-14,24,30H,15H2,1H3,(H,27,29).
What are the key properties of N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide?
N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide is sourced from PubChem (CID 164620931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).