N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide

C13H17ClN2O3 — CID 3250924

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
SMILESCCCC(=O)NNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C13H17ClN2O3/c1-3-4-12(17)15-16-13(18)8-19-11-6-5-10(14)7-9(11)2/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZZZUCTHMUDUZOZ-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.97
Rot. Bonds5

About N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide

N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide (PubChem CID 3250924) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
PubChem CID3250924
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
SMILESCCCC(=O)NNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C13H17ClN2O3/c1-3-4-12(17)15-16-13(18)8-19-11-6-5-10(14)7-9(11)2/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZZZUCTHMUDUZOZ-UHFFFAOYSA-N
XLogP1.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
N-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamothioyl]hexanamide
CID 4954178
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018
[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
CID 154313785
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide (CID 3250924) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide is CCCC(=O)NNC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide?
The InChIKey is ZZZUCTHMUDUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-4-12(17)15-16-13(18)8-19-11-6-5-10(14)7-9(11)2/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide has a molecular weight of 284.74 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide is sourced from PubChem (CID 3250924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).