N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide

C16H19Cl2N3O2 — CID 1098758

IUPACN-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)NC1CCCCC1)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O2/c17-12-7-6-11(14(18)8-12)10-19-21-16(23)9-15(22)20-13-4-2-1-3-5-13/h6-8,10,13H,1-5,9H2,(H,20,22)(H,21,23)
InChIKeyAMWGYEDYLWFGMU-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.28
Rot. Bonds5

About N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide

N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide (PubChem CID 1098758) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
PubChem CID1098758
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC NameN-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)NC1CCCCC1)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O2/c17-12-7-6-11(14(18)8-12)10-19-21-16(23)9-15(22)20-13-4-2-1-3-5-13/h6-8,10,13H,1-5,9H2,(H,20,22)(H,21,23)
InChIKeyAMWGYEDYLWFGMU-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-(3-chlorophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211605
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925017
N-cyclopropyl-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 6150186
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
(1R,6R)-N-[(2,4-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 129439417
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
N-cyclohexyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]propanediamide
CID 3734447
(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 6042674
(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 895594
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N'-[(E)-(3-bromophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211606
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide?
The IUPAC name of N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide (CID 1098758) is N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide?
The canonical SMILES for N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide is O=C(CC(=O)NC1CCCCC1)NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide?
The InChIKey is AMWGYEDYLWFGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-12-7-6-11(14(18)8-12)10-19-21-16(23)9-15(22)20-13-4-2-1-3-5-13/h6-8,10,13H,1-5,9H2,(H,20,22)(H,21,23).
What are the key properties of N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide?
N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide has a molecular weight of 356.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 1098758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).