2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide

C22H17F2N3O2 — CID 126601481

IUPAC2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1ncc2cc(-c3c(F)cccc3F)ccc21
InChIInChI=1S/C22H17F2N3O2/c23-17-7-4-8-18(24)21(17)15-9-10-19-16(12-15)13-25-27(19)20(22(28)26-29)11-14-5-2-1-3-6-14/h1-10,12-13,20,29H,11H2,(H,26,28)
InChIKeyLQXBVQAVGCGFFB-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.27
Rot. Bonds5

About 2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide

2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide (PubChem CID 126601481) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
PubChem CID126601481
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC Name2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)n1ncc2cc(-c3c(F)cccc3F)ccc21
InChIInChI=1S/C22H17F2N3O2/c23-17-7-4-8-18(24)21(17)15-9-10-19-16(12-15)13-25-27(19)20(22(28)26-29)11-14-5-2-1-3-6-14/h1-10,12-13,20,29H,11H2,(H,26,28)
InChIKeyLQXBVQAVGCGFFB-UHFFFAOYSA-N
XLogP4.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.27
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-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide (CID 126601481) is 2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide is O=C(NO)C(Cc1ccccc1)n1ncc2cc(-c3c(F)cccc3F)ccc21.
What is the InChIKey of 2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide?
The InChIKey is LQXBVQAVGCGFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c23-17-7-4-8-18(24)21(17)15-9-10-19-16(12-15)13-25-27(19)20(22(28)26-29)11-14-5-2-1-3-6-14/h1-10,12-13,20,29H,11H2,(H,26,28).
What are the key properties of 2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide?
2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide has a molecular weight of 393.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-difluorophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 126601481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).