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

C18H16N4O3 — CID 118723779

IUPACN-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESO=C(NC(C(=O)NO)c1ccc(-n2cccn2)cc1)c1ccccc1
InChIInChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)
InChIKeyLGMNTGBSDLNSAJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.85
Rot. Bonds5

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

N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 118723779) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID118723779
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESO=C(NC(C(=O)NO)c1ccc(-n2cccn2)cc1)c1ccccc1
InChIInChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)
InChIKeyLGMNTGBSDLNSAJ-UHFFFAOYSA-N
XLogP1.85
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.85
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 N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 118723779) is N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide is O=C(NC(C(=O)NO)c1ccc(-n2cccn2)cc1)c1ccccc1.
What is the InChIKey of N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is LGMNTGBSDLNSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24).
What are the key properties of N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 336.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 118723779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).