2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide

C23H26ClN5O3 — CID 175935819

IUPAC2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
SMILESCC(C)CC(C(N)=O)(C(=O)NO)c1ccc(Cn2cc(Cc3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C23H26ClN5O3/c1-15(2)12-23(21(25)30,22(31)27-32)18-7-3-17(4-8-18)13-29-14-20(26-28-29)11-16-5-9-19(24)10-6-16/h3-10,14-15,32H,11-13H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyRZXYAOJSRVENPU-UHFFFAOYSA-N
MW455.95 g/mol
LogP2.85
Rot. Bonds9

About 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide

2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide (PubChem CID 175935819) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide.

Molecular Properties

Compound Name2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
PubChem CID175935819
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
SMILESCC(C)CC(C(N)=O)(C(=O)NO)c1ccc(Cn2cc(Cc3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C23H26ClN5O3/c1-15(2)12-23(21(25)30,22(31)27-32)18-7-3-17(4-8-18)13-29-14-20(26-28-29)11-16-5-9-19(24)10-6-16/h3-10,14-15,32H,11-13H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyRZXYAOJSRVENPU-UHFFFAOYSA-N
XLogP2.85
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The IUPAC name of 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide (CID 175935819) is 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide.
What is the SMILES notation for 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The canonical SMILES for 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide is CC(C)CC(C(N)=O)(C(=O)NO)c1ccc(Cn2cc(Cc3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The InChIKey is RZXYAOJSRVENPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-15(2)12-23(21(25)30,22(31)27-32)18-7-3-17(4-8-18)13-29-14-20(26-28-29)11-16-5-9-19(24)10-6-16/h3-10,14-15,32H,11-13H2,1-2H3,(H2,25,30)(H,27,31).
What are the key properties of 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide has a molecular weight of 455.95 g/mol, XLogP of 2.85, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(4-chlorophenyl)methyl]triazol-1-yl]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide is sourced from PubChem (CID 175935819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).