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

C17H17N3O2 — CID 126601561

IUPACN-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide
SMILESCc1ccc2c(cnn2C(Cc2ccccc2)C(=O)NO)c1
InChIInChI=1S/C17H17N3O2/c1-12-7-8-15-14(9-12)11-18-20(15)16(17(21)19-22)10-13-5-3-2-4-6-13/h2-9,11,16,22H,10H2,1H3,(H,19,21)
InChIKeySFJPRMVKQJDYPH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.63
Rot. Bonds4

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

N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide (PubChem CID 126601561) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide
PubChem CID126601561
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide
SMILESCc1ccc2c(cnn2C(Cc2ccccc2)C(=O)NO)c1
InChIInChI=1S/C17H17N3O2/c1-12-7-8-15-14(9-12)11-18-20(15)16(17(21)19-22)10-13-5-3-2-4-6-13/h2-9,11,16,22H,10H2,1H3,(H,19,21)
InChIKeySFJPRMVKQJDYPH-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.63
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 N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide?
The IUPAC name of N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide (CID 126601561) is N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide is Cc1ccc2c(cnn2C(Cc2ccccc2)C(=O)NO)c1.
What is the InChIKey of N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide?
The InChIKey is SFJPRMVKQJDYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-7-8-15-14(9-12)11-18-20(15)16(17(21)19-22)10-13-5-3-2-4-6-13/h2-9,11,16,22H,10H2,1H3,(H,19,21).
What are the key properties of N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide?
N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide has a molecular weight of 295.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(5-methylindazol-1-yl)-3-phenylpropanamide is sourced from PubChem (CID 126601561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).