4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide

C23H20N4O3 — CID 126601508

IUPAC4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2cccc3c2cnn3C(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C23H20N4O3/c24-22(28)17-11-9-16(10-12-17)18-7-4-8-20-19(18)14-25-27(20)21(23(29)26-30)13-15-5-2-1-3-6-15/h1-12,14,21,30H,13H2,(H2,24,28)(H,26,29)
InChIKeyPCKRVLAWWHZYCV-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.09
Rot. Bonds6

About 4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide

4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide (PubChem CID 126601508) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide
PubChem CID126601508
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2cccc3c2cnn3C(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C23H20N4O3/c24-22(28)17-11-9-16(10-12-17)18-7-4-8-20-19(18)14-25-27(20)21(23(29)26-30)13-15-5-2-1-3-6-15/h1-12,14,21,30H,13H2,(H2,24,28)(H,26,29)
InChIKeyPCKRVLAWWHZYCV-UHFFFAOYSA-N
XLogP3.09
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide?
The IUPAC name of 4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide (CID 126601508) is 4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide.
What is the SMILES notation for 4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide?
The canonical SMILES for 4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide is NC(=O)c1ccc(-c2cccc3c2cnn3C(Cc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of 4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide?
The InChIKey is PCKRVLAWWHZYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c24-22(28)17-11-9-16(10-12-17)18-7-4-8-20-19(18)14-25-27(20)21(23(29)26-30)13-15-5-2-1-3-6-15/h1-12,14,21,30H,13H2,(H2,24,28)(H,26,29).
What are the key properties of 4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide?
4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide has a molecular weight of 400.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]indazol-4-yl]benzamide is sourced from PubChem (CID 126601508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).