2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide

C8H6Cl4N2O — CID 735781

IUPAC2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(CCl)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl4N2O/c9-3-7(15)13-14-8-5(11)1-4(10)2-6(8)12/h1-2,14H,3H2,(H,13,15)
InChIKeyASBSNXSEPXJVRW-UHFFFAOYSA-N
MW287.96 g/mol
LogP3.33
Rot. Bonds3

About 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide

2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide (PubChem CID 735781) has the molecular formula C8H6Cl4N2O and a molecular weight of 287.96 g/mol. Its IUPAC name is 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide
PubChem CID735781
Molecular FormulaC8H6Cl4N2O
Molecular Weight287.96 g/mol
Exact Mass285.92
IUPAC Name2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(CCl)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl4N2O/c9-3-7(15)13-14-8-5(11)1-4(10)2-6(8)12/h1-2,14H,3H2,(H,13,15)
InChIKeyASBSNXSEPXJVRW-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.96
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The IUPAC name of 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide (CID 735781) is 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The canonical SMILES for 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide is O=C(CCl)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The InChIKey is ASBSNXSEPXJVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4N2O/c9-3-7(15)13-14-8-5(11)1-4(10)2-6(8)12/h1-2,14H,3H2,(H,13,15).
What are the key properties of 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide?
2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide has a molecular weight of 287.96 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide is sourced from PubChem (CID 735781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).