2-(4-chlorophenyl)-2-oxoacetohydrazide

C8H7ClN2O2 — CID 163907159

IUPAC2-(4-chlorophenyl)-2-oxoacetohydrazide
SMILESNNC(=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClN2O2/c9-6-3-1-5(2-4-6)7(12)8(13)11-10/h1-4H,10H2,(H,11,13)
InChIKeyQOYAODKPVNOLKU-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.51
Rot. Bonds2

About 2-(4-chlorophenyl)-2-oxoacetohydrazide

2-(4-chlorophenyl)-2-oxoacetohydrazide (PubChem CID 163907159) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-oxoacetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-oxoacetohydrazide
PubChem CID163907159
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name2-(4-chlorophenyl)-2-oxoacetohydrazide
SMILESNNC(=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClN2O2/c9-6-3-1-5(2-4-6)7(12)8(13)11-10/h1-4H,10H2,(H,11,13)
InChIKeyQOYAODKPVNOLKU-UHFFFAOYSA-N
XLogP0.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-chlorophenyl)-2-oxoacetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-2-oxoacetohydrazide (CID 163907159) is 2-(4-chlorophenyl)-2-oxoacetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-oxoacetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-2-oxoacetohydrazide is NNC(=O)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-oxoacetohydrazide?
The InChIKey is QOYAODKPVNOLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-6-3-1-5(2-4-6)7(12)8(13)11-10/h1-4H,10H2,(H,11,13).
What are the key properties of 2-(4-chlorophenyl)-2-oxoacetohydrazide?
2-(4-chlorophenyl)-2-oxoacetohydrazide has a molecular weight of 198.61 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-oxoacetohydrazide is sourced from PubChem (CID 163907159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).