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

C23H21N5O2 — CID 164624710

IUPACN-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
SMILESCc1cccc(-n2nc(-c3ccccc3)nc2CNc2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C23H21N5O2/c1-16-6-5-9-20(14-16)28-21(25-22(26-28)17-7-3-2-4-8-17)15-24-19-12-10-18(11-13-19)23(29)27-30/h2-14,24,30H,15H2,1H3,(H,27,29)
InChIKeyBUPCYONKWLSWKW-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.97
Rot. Bonds6

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

N-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide (PubChem CID 164624710) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
PubChem CID164624710
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
SMILESCc1cccc(-n2nc(-c3ccccc3)nc2CNc2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C23H21N5O2/c1-16-6-5-9-20(14-16)28-21(25-22(26-28)17-7-3-2-4-8-17)15-24-19-12-10-18(11-13-19)23(29)27-30/h2-14,24,30H,15H2,1H3,(H,27,29)
InChIKeyBUPCYONKWLSWKW-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-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide?
The IUPAC name of N-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide (CID 164624710) is N-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide is Cc1cccc(-n2nc(-c3ccccc3)nc2CNc2ccc(C(=O)NO)cc2)c1.
What is the InChIKey of N-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide?
The InChIKey is BUPCYONKWLSWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-16-6-5-9-20(14-16)28-21(25-22(26-28)17-7-3-2-4-8-17)15-24-19-12-10-18(11-13-19)23(29)27-30/h2-14,24,30H,15H2,1H3,(H,27,29).
What are the key properties of N-hydroxy-4-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide?
N-hydroxy-4-[[2-(3-methylphenyl)-5-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-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide is sourced from PubChem (CID 164624710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).