N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide

C11H11Cl3N2O — CID 2418684

IUPACN'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCC1
InChIInChI=1S/C11H11Cl3N2O/c12-7-4-8(13)10(9(14)5-7)15-16-11(17)6-2-1-3-6/h4-6,15H,1-3H2,(H,16,17)
InChIKeyVTCMASJGIFDBDF-UHFFFAOYSA-N
MW293.58 g/mol
LogP3.89
Rot. Bonds3

About N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide

N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide (PubChem CID 2418684) has the molecular formula C11H11Cl3N2O and a molecular weight of 293.58 g/mol. Its IUPAC name is N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide
PubChem CID2418684
Molecular FormulaC11H11Cl3N2O
Molecular Weight293.58 g/mol
Exact Mass291.99
IUPAC NameN'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCC1
InChIInChI=1S/C11H11Cl3N2O/c12-7-4-8(13)10(9(14)5-7)15-16-11(17)6-2-1-3-6/h4-6,15H,1-3H2,(H,16,17)
InChIKeyVTCMASJGIFDBDF-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.58
LogP ≤ 53.89
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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Related Compounds

N'-(2,5-dichlorophenyl)cyclobutanecarbohydrazide
CID 2811011
N'-(4-chlorophenyl)cyclobutanecarbohydrazide
CID 2812580
N'-(2,6-dichlorophenyl)cyclobutanecarbohydrazide
CID 2812889
N'-(3,5-dichlorophenyl)cyclobutanecarbohydrazide
CID 2813079
N'-(2,6-dichlorophenyl)-3-phenylpropanehydrazide
CID 2812882
Propanehydrazide, N2-(4-chlorophenyl)-
CID 588325
2-chloro-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 735781
Butyric N2-(4-chlorophenyl)hydrazide
CID 5152318
Trifluoroacetic acid, 2-(2,4-dichlorophenyl)hydrazide
CID 12787056
1-amino-N'-(4-chlorophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
CID 170945234
Acetic acid N'-(2,4-dichloro-phenyl)-hydrazide
CID 612615
2-cyclopentyl-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 2449358

Frequently Asked Questions

What is the IUPAC name of N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide?
The IUPAC name of N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide (CID 2418684) is N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide.
What is the SMILES notation for N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide?
The canonical SMILES for N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide is O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCC1.
What is the InChIKey of N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide?
The InChIKey is VTCMASJGIFDBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3N2O/c12-7-4-8(13)10(9(14)5-7)15-16-11(17)6-2-1-3-6/h4-6,15H,1-3H2,(H,16,17).
What are the key properties of N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide?
N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide has a molecular weight of 293.58 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,6-trichlorophenyl)cyclobutanecarbohydrazide is sourced from PubChem (CID 2418684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).