3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide

C18H15FN4O3 — CID 118723781

IUPAC3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESO=C(NC(C(=O)NO)c1ccc(-n2cccn2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25)
InChIKeyOQNJTJVDXVRAAX-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.99
Rot. Bonds5

About 3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide

3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 118723781) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID118723781
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESO=C(NC(C(=O)NO)c1ccc(-n2cccn2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25)
InChIKeyOQNJTJVDXVRAAX-UHFFFAOYSA-N
XLogP1.99
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.99
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 3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 118723781) is 3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide is O=C(NC(C(=O)NO)c1ccc(-n2cccn2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is OQNJTJVDXVRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25).
What are the key properties of 3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 354.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 118723781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).