N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide

C12H15ClN2O3 — CID 166414704

IUPACN'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)CCl
InChIInChI=1S/C12H15ClN2O3/c1-2-9-5-3-4-6-10(9)18-8-12(17)15-14-11(16)7-13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyJCNGKTTVTATVDF-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.01
Rot. Bonds5

About N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide

N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide (PubChem CID 166414704) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
PubChem CID166414704
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)CCl
InChIInChI=1S/C12H15ClN2O3/c1-2-9-5-3-4-6-10(9)18-8-12(17)15-14-11(16)7-13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyJCNGKTTVTATVDF-UHFFFAOYSA-N
XLogP1.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108574553
2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
CID 55334349
N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
CID 108538543
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
2-(2-ethylphenoxy)-N-pyridin-2-ylacetamide
CID 47111739
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
2-(2-ethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510399
N-[(2S)-1-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55944338
2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55786575
N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide
CID 55834680

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide (CID 166414704) is N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide is CCc1ccccc1OCC(=O)NNC(=O)CCl.
What is the InChIKey of N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide?
The InChIKey is JCNGKTTVTATVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-9-5-3-4-6-10(9)18-8-12(17)15-14-11(16)7-13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide?
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide has a molecular weight of 270.72 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide is sourced from PubChem (CID 166414704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).