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

C23H19ClN4O2 — CID 135357481

IUPAC4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cc2nc(-c3ccc(Cl)cc3)nn2Cc2ccccc2)cc1
InChIInChI=1S/C23H19ClN4O2/c24-20-12-10-18(11-13-20)22-25-21(28(26-22)15-17-4-2-1-3-5-17)14-16-6-8-19(9-7-16)23(29)27-30/h1-13,30H,14-15H2,(H,27,29)
InChIKeyYMVRSRJFUBUMLC-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.36
Rot. Bonds6

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

4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide (PubChem CID 135357481) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide
PubChem CID135357481
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cc2nc(-c3ccc(Cl)cc3)nn2Cc2ccccc2)cc1
InChIInChI=1S/C23H19ClN4O2/c24-20-12-10-18(11-13-20)22-25-21(28(26-22)15-17-4-2-1-3-5-17)14-16-6-8-19(9-7-16)23(29)27-30/h1-13,30H,14-15H2,(H,27,29)
InChIKeyYMVRSRJFUBUMLC-UHFFFAOYSA-N
XLogP4.36
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.36
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

4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)benzamide
CID 54580118
3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)benzamide
CID 54581095
N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 135357494
N-tert-butyl-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)benzamide
CID 54581094
4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)isophthalamide
CID 54582164
4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)-N-ethylbenzamide
CID 54585029
4-[[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide
CID 171342886
4-[[5-(2-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide
CID 171344621
N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide
CID 171345639
N-hydroxy-4-[(3-phenyl-1,2,4-triazol-1-yl)methyl]benzamide
CID 171349230
N-hydroxy-4-[[3-(3-phenylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide
CID 171355650
N-hydroxy-4-[[3-(3-methylphenyl)-1,2,4-triazol-1-yl]methyl]benzamide
CID 171356766

Frequently Asked Questions

What is the IUPAC name of 4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide (CID 135357481) is 4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(Cc2nc(-c3ccc(Cl)cc3)nn2Cc2ccccc2)cc1.
What is the InChIKey of 4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide?
The InChIKey is YMVRSRJFUBUMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c24-20-12-10-18(11-13-20)22-25-21(28(26-22)15-17-4-2-1-3-5-17)14-16-6-8-19(9-7-16)23(29)27-30/h1-13,30H,14-15H2,(H,27,29).
What are the key properties of 4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide?
4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide has a molecular weight of 418.88 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135357481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).