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

C18H15FN4O3 — CID 118723782

IUPAC4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESC1=CN(N=C1)C2=CC=C(C=C2)C(C(=O)NO)NC(=O)C3=CC=C(C=C3)F
InChIInChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)
InChIKeyDZQODXUHSICRDF-UHFFFAOYSA-N
MW354.30 g/mol
LogP1.80
Rot. Bonds5

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

4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 118723782) has the molecular formula C18H15FN4O3 and a molecular weight of 354.30 g/mol. Its IUPAC name is 4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID118723782
Molecular FormulaC18H15FN4O3
Molecular Weight354.30 g/mol
Exact Mass354.11
IUPAC Name4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESC1=CN(N=C1)C2=CC=C(C=C2)C(C(=O)NO)NC(=O)C3=CC=C(C=C3)F
InChIInChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)
InChIKeyDZQODXUHSICRDF-UHFFFAOYSA-N
XLogP1.80
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity491

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 51.80
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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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
5-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,4-imidazolidinedione
CID 660311
(5r)-5-[3-(4-Fluorophenyl)-1-Phenyl-1h-Pyrazol-4-Yl]imidazolidine-2,4-Dione
CID 948334
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 139030331
3-fluoro-N-(4-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)benzamide
CID 7695693
Ab-chfupyca
CID 122213879
IL-17A antagonist 1
CID 121499148
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
3-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874840
4-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874841
tert-butyl N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]carbamate
CID 118723772
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 118723775

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 118723782) is 4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide is C1=CN(N=C1)C2=CC=C(C=C2)C(C(=O)NO)NC(=O)C3=CC=C(C=C3)F.
What is the InChIKey of 4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is DZQODXUHSICRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25).
What are the key properties of 4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 354.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 118723782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).