2,2-dichloro-N',N'-diethylacetohydrazide

C6H12Cl2N2O — CID 174663209

IUPAC2,2-dichloro-N',N'-diethylacetohydrazide
SMILESCCN(CC)NC(=O)C(Cl)Cl
InChIInChI=1S/C6H12Cl2N2O/c1-3-10(4-2)9-6(11)5(7)8/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyMJBKLKONCPSQLE-UHFFFAOYSA-N
MW199.08 g/mol
LogP1.16
Rot. Bonds4

About 2,2-dichloro-N',N'-diethylacetohydrazide

2,2-dichloro-N',N'-diethylacetohydrazide (PubChem CID 174663209) has the molecular formula C6H12Cl2N2O and a molecular weight of 199.08 g/mol. Its IUPAC name is 2,2-dichloro-N',N'-diethylacetohydrazide.

Molecular Properties

Compound Name2,2-dichloro-N',N'-diethylacetohydrazide
PubChem CID174663209
Molecular FormulaC6H12Cl2N2O
Molecular Weight199.08 g/mol
Exact Mass198.03
IUPAC Name2,2-dichloro-N',N'-diethylacetohydrazide
SMILESCCN(CC)NC(=O)C(Cl)Cl
InChIInChI=1S/C6H12Cl2N2O/c1-3-10(4-2)9-6(11)5(7)8/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyMJBKLKONCPSQLE-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 2,2-dichloro-N',N'-diethylacetohydrazide?
The IUPAC name of 2,2-dichloro-N',N'-diethylacetohydrazide (CID 174663209) is 2,2-dichloro-N',N'-diethylacetohydrazide.
What is the SMILES notation for 2,2-dichloro-N',N'-diethylacetohydrazide?
The canonical SMILES for 2,2-dichloro-N',N'-diethylacetohydrazide is CCN(CC)NC(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N',N'-diethylacetohydrazide?
The InChIKey is MJBKLKONCPSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2N2O/c1-3-10(4-2)9-6(11)5(7)8/h5H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 2,2-dichloro-N',N'-diethylacetohydrazide?
2,2-dichloro-N',N'-diethylacetohydrazide has a molecular weight of 199.08 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N',N'-diethylacetohydrazide is sourced from PubChem (CID 174663209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).