N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide

C14H11ClN4O4 — CID 155539630

IUPACN-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
SMILESO=C(NNC(=O)c1ccncc1)C(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C14H11ClN4O4/c15-9-1-2-10(11(20)7-9)17-13(22)14(23)19-18-12(21)8-3-5-16-6-4-8/h1-7,20H,(H,17,22)(H,18,21)(H,19,23)
InChIKeyVDDGVPFLNWRNIK-UHFFFAOYSA-N
MW334.72 g/mol
LogP0.84
Rot. Bonds2

About N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide

N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide (PubChem CID 155539630) has the molecular formula C14H11ClN4O4 and a molecular weight of 334.72 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
PubChem CID155539630
Molecular FormulaC14H11ClN4O4
Molecular Weight334.72 g/mol
Exact Mass334.05
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
SMILESO=C(NNC(=O)c1ccncc1)C(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C14H11ClN4O4/c15-9-1-2-10(11(20)7-9)17-13(22)14(23)19-18-12(21)8-3-5-16-6-4-8/h1-7,20H,(H,17,22)(H,18,21)(H,19,23)
InChIKeyVDDGVPFLNWRNIK-UHFFFAOYSA-N
XLogP0.84
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide (CID 155539630) is N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide is O=C(NNC(=O)c1ccncc1)C(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide?
The InChIKey is VDDGVPFLNWRNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O4/c15-9-1-2-10(11(20)7-9)17-13(22)14(23)19-18-12(21)8-3-5-16-6-4-8/h1-7,20H,(H,17,22)(H,18,21)(H,19,23).
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide?
N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide has a molecular weight of 334.72 g/mol, XLogP of 0.84, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide is sourced from PubChem (CID 155539630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).