N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C16H19Cl2N3O2 — CID 4925017

IUPACN-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O2/c17-13-7-6-12(14(18)8-13)9-20-21-15(22)10-19-16(23)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,23)(H,21,22)
InChIKeyAGWZCQGFLDDKJR-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.14
Rot. Bonds5

About N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4925017) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4925017
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC NameN-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O2/c17-13-7-6-12(14(18)8-13)9-20-21-15(22)10-19-16(23)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,23)(H,21,22)
InChIKeyAGWZCQGFLDDKJR-UHFFFAOYSA-N
XLogP3.14
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
CID 1098758
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide
CID 4925063
(1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 129439417
N-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46859010
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4188604
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6036868
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 7452279
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925009
N-cyclopropyl-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 6150186
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 4925017) is N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is AGWZCQGFLDDKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-13-7-6-12(14(18)8-13)9-20-21-15(22)10-19-16(23)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,23)(H,21,22).
What are the key properties of N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 356.25 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4925017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).