N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide

C11H12Cl2N2O — CID 2812889

IUPACN'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide
SMILESO=C(NNc1c(Cl)cccc1Cl)C1CCC1
InChIInChI=1S/C11H12Cl2N2O/c12-8-5-2-6-9(13)10(8)14-15-11(16)7-3-1-4-7/h2,5-7,14H,1,3-4H2,(H,15,16)
InChIKeyWOXOCCMSXPJOFK-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.24
Rot. Bonds3

About N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide

N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide (PubChem CID 2812889) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide
PubChem CID2812889
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC NameN'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide
SMILESO=C(NNc1c(Cl)cccc1Cl)C1CCC1
InChIInChI=1S/C11H12Cl2N2O/c12-8-5-2-6-9(13)10(8)14-15-11(16)7-3-1-4-7/h2,5-7,14H,1,3-4H2,(H,15,16)
InChIKeyWOXOCCMSXPJOFK-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide?
The IUPAC name of N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide (CID 2812889) is N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide?
The canonical SMILES for N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide is O=C(NNc1c(Cl)cccc1Cl)C1CCC1.
What is the InChIKey of N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide?
The InChIKey is WOXOCCMSXPJOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-8-5-2-6-9(13)10(8)14-15-11(16)7-3-1-4-7/h2,5-7,14H,1,3-4H2,(H,15,16).
What are the key properties of N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide?
N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide has a molecular weight of 259.14 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide is sourced from PubChem (CID 2812889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).