2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide

C18H19N3O2 — CID 126601486

IUPAC2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide
SMILESCCc1ccc2c(cnn2C(Cc2ccccc2)C(=O)NO)c1
InChIInChI=1S/C18H19N3O2/c1-2-13-8-9-16-15(10-13)12-19-21(16)17(18(22)20-23)11-14-6-4-3-5-7-14/h3-10,12,17,23H,2,11H2,1H3,(H,20,22)
InChIKeyQLUFXVKOFWRDSX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.89
Rot. Bonds5

About 2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide

2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide (PubChem CID 126601486) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide
PubChem CID126601486
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide
SMILESCCc1ccc2c(cnn2C(Cc2ccccc2)C(=O)NO)c1
InChIInChI=1S/C18H19N3O2/c1-2-13-8-9-16-15(10-13)12-19-21(16)17(18(22)20-23)11-14-6-4-3-5-7-14/h3-10,12,17,23H,2,11H2,1H3,(H,20,22)
InChIKeyQLUFXVKOFWRDSX-UHFFFAOYSA-N
XLogP2.89
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide (CID 126601486) is 2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide is CCc1ccc2c(cnn2C(Cc2ccccc2)C(=O)NO)c1.
What is the InChIKey of 2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide?
The InChIKey is QLUFXVKOFWRDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-13-8-9-16-15(10-13)12-19-21(16)17(18(22)20-23)11-14-6-4-3-5-7-14/h3-10,12,17,23H,2,11H2,1H3,(H,20,22).
What are the key properties of 2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide?
2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide has a molecular weight of 309.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 126601486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).