N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide

C22H22Cl4N4O2 — CID 4154213

IUPACN,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)NN=Cc1ccc(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H22Cl4N4O2/c23-17-9-7-15(19(25)11-17)13-27-29-21(31)5-3-1-2-4-6-22(32)30-28-14-16-8-10-18(24)12-20(16)26/h7-14H,1-6H2,(H,29,31)(H,30,32)
InChIKeyPXYRAJWJYAQPBZ-UHFFFAOYSA-N
MW516.26 g/mol
LogP6.24
Rot. Bonds11

About N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide

N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide (PubChem CID 4154213) has the molecular formula C22H22Cl4N4O2 and a molecular weight of 516.26 g/mol. Its IUPAC name is N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide.

Molecular Properties

Compound NameN,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
PubChem CID4154213
Molecular FormulaC22H22Cl4N4O2
Molecular Weight516.26 g/mol
Exact Mass514.05
IUPAC NameN,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)NN=Cc1ccc(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H22Cl4N4O2/c23-17-9-7-15(19(25)11-17)13-27-29-21(31)5-3-1-2-4-6-22(32)30-28-14-16-8-10-18(24)12-20(16)26/h7-14H,1-6H2,(H,29,31)(H,30,32)
InChIKeyPXYRAJWJYAQPBZ-UHFFFAOYSA-N
XLogP6.24
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.26
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide
CID 4744533
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6277415
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
CID 5413730
N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
CID 1098758
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 7452279

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide?
The IUPAC name of N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide (CID 4154213) is N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide.
What is the SMILES notation for N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide?
The canonical SMILES for N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide is O=C(CCCCCCC(=O)NN=Cc1ccc(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide?
The InChIKey is PXYRAJWJYAQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl4N4O2/c23-17-9-7-15(19(25)11-17)13-27-29-21(31)5-3-1-2-4-6-22(32)30-28-14-16-8-10-18(24)12-20(16)26/h7-14H,1-6H2,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide?
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide has a molecular weight of 516.26 g/mol, XLogP of 6.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide is sourced from PubChem (CID 4154213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).