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

C16H14BrN3O2 — CID 126601495

IUPAC2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1ncc2cc(Br)ccc21
InChIInChI=1S/C16H14BrN3O2/c17-13-6-7-14-12(9-13)10-18-20(14)15(16(21)19-22)8-11-4-2-1-3-5-11/h1-7,9-10,15,22H,8H2,(H,19,21)
InChIKeyPOUSDVOTAPGOKE-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.09
Rot. Bonds4

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

2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide (PubChem CID 126601495) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide
PubChem CID126601495
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1ncc2cc(Br)ccc21
InChIInChI=1S/C16H14BrN3O2/c17-13-6-7-14-12(9-13)10-18-20(14)15(16(21)19-22)8-11-4-2-1-3-5-11/h1-7,9-10,15,22H,8H2,(H,19,21)
InChIKeyPOUSDVOTAPGOKE-UHFFFAOYSA-N
XLogP3.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.09
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-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide (CID 126601495) is 2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide is O=C(NO)C(Cc1ccccc1)n1ncc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide?
The InChIKey is POUSDVOTAPGOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c17-13-6-7-14-12(9-13)10-18-20(14)15(16(21)19-22)8-11-4-2-1-3-5-11/h1-7,9-10,15,22H,8H2,(H,19,21).
What are the key properties of 2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide?
2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide has a molecular weight of 360.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindazol-1-yl)-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 126601495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).