2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide

C11H15ClN2O2 — CID 68818842

IUPAC2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide
SMILESCC(C)N(N)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2/c1-8(2)14(13)11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8H,7,13H2,1-2H3
InChIKeyYTLUQMVDOGTESV-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.83
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide

2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide (PubChem CID 68818842) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide
PubChem CID68818842
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide
SMILESCC(C)N(N)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2/c1-8(2)14(13)11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8H,7,13H2,1-2H3
InChIKeyYTLUQMVDOGTESV-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide
CID 77044875
2-(4-chlorophenoxy)-N-(4-methoxyphenyl)acetohydrazide
CID 163509592
2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79290860
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
1-(4-chlorophenoxy)-5-methylhexan-2-one
CID 115693509
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
N-(2-bromoethyl)-2-(4-chlorophenoxy)-N-pentan-3-ylacetamide
CID 80670803
1-(4-chlorophenoxy)-4-methylhexan-2-one
CID 105091656
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
CID 94626264
2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid
CID 79266477
2-(4-chlorophenoxy)acetyl iodide
CID 134255037

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide (CID 68818842) is 2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide is CC(C)N(N)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide?
The InChIKey is YTLUQMVDOGTESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8(2)14(13)11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide?
2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide has a molecular weight of 242.71 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide is sourced from PubChem (CID 68818842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).