4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide

C14H9Cl4N3O3 — CID 11625673

IUPAC4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
SMILESO=C(COc1nc(Cl)c(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl4N3O3/c15-8-3-1-7(2-4-8)13(23)21-20-11(22)6-24-14-10(17)5-9(16)12(18)19-14/h1-5H,6H2,(H,20,22)(H,21,23)
InChIKeyKJLTWZLKCVQJGG-UHFFFAOYSA-N
MW409.06 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide

4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide (PubChem CID 11625673) has the molecular formula C14H9Cl4N3O3 and a molecular weight of 409.06 g/mol. Its IUPAC name is 4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
PubChem CID11625673
Molecular FormulaC14H9Cl4N3O3
Molecular Weight409.06 g/mol
Exact Mass406.94
IUPAC Name4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
SMILESO=C(COc1nc(Cl)c(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl4N3O3/c15-8-3-1-7(2-4-8)13(23)21-20-11(22)6-24-14-10(17)5-9(16)12(18)19-14/h1-5H,6H2,(H,20,22)(H,21,23)
InChIKeyKJLTWZLKCVQJGG-UHFFFAOYSA-N
XLogP3.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.06
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
CID 11668575
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
CID 7946113
5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 7943823
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510885
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]benzohydrazide
CID 7971635
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide
CID 2511372

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide (CID 11625673) is 4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide is O=C(COc1nc(Cl)c(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide?
The InChIKey is KJLTWZLKCVQJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4N3O3/c15-8-3-1-7(2-4-8)13(23)21-20-11(22)6-24-14-10(17)5-9(16)12(18)19-14/h1-5H,6H2,(H,20,22)(H,21,23).
What are the key properties of 4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide?
4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide has a molecular weight of 409.06 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide is sourced from PubChem (CID 11625673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).