2-(4-chlorophenoxy)acetohydrazide

C8H9ClN2O2 — CID 774289

IUPAC2-(4-chlorophenoxy)acetohydrazide
SMILESNNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O2/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKeyKFEHAYRYAXSMBJ-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.71
Rot. Bonds3

About 2-(4-chlorophenoxy)acetohydrazide

2-(4-chlorophenoxy)acetohydrazide (PubChem CID 774289) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)acetohydrazide
PubChem CID774289
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name2-(4-chlorophenoxy)acetohydrazide
SMILESNNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O2/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKeyKFEHAYRYAXSMBJ-UHFFFAOYSA-N
XLogP0.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.71
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)acetohydrazide?
The IUPAC name of 2-(4-chlorophenoxy)acetohydrazide (CID 774289) is 2-(4-chlorophenoxy)acetohydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)acetohydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)acetohydrazide is NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)acetohydrazide?
The InChIKey is KFEHAYRYAXSMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12).
What are the key properties of 2-(4-chlorophenoxy)acetohydrazide?
2-(4-chlorophenoxy)acetohydrazide has a molecular weight of 200.63 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)acetohydrazide is sourced from PubChem (CID 774289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).