2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride

C9H10Cl3N3O — CID 141264795

IUPAC2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride
SMILESCl.NN=CNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N3O.ClH/c10-7-2-1-3-8(11)6(7)4-9(15)13-5-14-12;/h1-3,5H,4,12H2,(H,13,14,15);1H
InChIKeyMDGGOSDJVRFIBX-UHFFFAOYSA-N
MW282.56 g/mol
LogP1.98
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride

2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride (PubChem CID 141264795) has the molecular formula C9H10Cl3N3O and a molecular weight of 282.56 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride
PubChem CID141264795
Molecular FormulaC9H10Cl3N3O
Molecular Weight282.56 g/mol
Exact Mass280.99
IUPAC Name2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride
SMILESCl.NN=CNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N3O.ClH/c10-7-2-1-3-8(11)6(7)4-9(15)13-5-14-12;/h1-3,5H,4,12H2,(H,13,14,15);1H
InChIKeyMDGGOSDJVRFIBX-UHFFFAOYSA-N
XLogP1.98
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.56
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride (CID 141264795) is 2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride is Cl.NN=CNC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride?
The InChIKey is MDGGOSDJVRFIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O.ClH/c10-7-2-1-3-8(11)6(7)4-9(15)13-5-14-12;/h1-3,5H,4,12H2,(H,13,14,15);1H.
What are the key properties of 2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride?
2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride has a molecular weight of 282.56 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-methanehydrazonoylacetamide;hydrochloride is sourced from PubChem (CID 141264795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).