N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide

C12H15ClN2O3 — CID 166414788

IUPACN'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)CCl)c1
InChIInChI=1S/C12H15ClN2O3/c1-8-3-4-9(2)10(5-8)18-7-12(17)15-14-11(16)6-13/h3-5H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHDWWQPREJWNHRG-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.07
Rot. Bonds4

About N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide

N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide (PubChem CID 166414788) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
PubChem CID166414788
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)CCl)c1
InChIInChI=1S/C12H15ClN2O3/c1-8-3-4-9(2)10(5-8)18-7-12(17)15-14-11(16)6-13/h3-5H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHDWWQPREJWNHRG-UHFFFAOYSA-N
XLogP1.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.07
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

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N'-[2-(2,5-dimethylphenoxy)acetyl]-3,3-diphenylpropanehydrazide
CID 7943424
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-ethoxyphenyl)acetohydrazide
CID 27568812
5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 55376169
2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82723508

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide (CID 166414788) is N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)CCl)c1.
What is the InChIKey of N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide?
The InChIKey is HDWWQPREJWNHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8-3-4-9(2)10(5-8)18-7-12(17)15-14-11(16)6-13/h3-5H,6-7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide?
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide has a molecular weight of 270.72 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide is sourced from PubChem (CID 166414788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).