N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide

C20H18Cl4N4O2 — CID 3636545

IUPACN,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl4N4O2/c1-11(13-3-5-15(21)17(23)9-13)25-27-19(29)7-8-20(30)28-26-12(2)14-4-6-16(22)18(24)10-14/h3-6,9-10H,7-8H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyXUJAXNSMVMHTBC-UHFFFAOYSA-N
MW488.20 g/mol
LogP5.46
Rot. Bonds7

About N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide

N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide (PubChem CID 3636545) has the molecular formula C20H18Cl4N4O2 and a molecular weight of 488.20 g/mol. Its IUPAC name is N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
PubChem CID3636545
Molecular FormulaC20H18Cl4N4O2
Molecular Weight488.20 g/mol
Exact Mass486.02
IUPAC NameN,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl4N4O2/c1-11(13-3-5-15(21)17(23)9-13)25-27-19(29)7-8-20(30)28-26-12(2)14-4-6-16(22)18(24)10-14/h3-6,9-10H,7-8H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyXUJAXNSMVMHTBC-UHFFFAOYSA-N
XLogP5.46
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.20
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylpropanamide
CID 7460972
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 7933131
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide
CID 3404914
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 46804454
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169925

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide?
The IUPAC name of N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide (CID 3636545) is N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide is CC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide?
The InChIKey is XUJAXNSMVMHTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl4N4O2/c1-11(13-3-5-15(21)17(23)9-13)25-27-19(29)7-8-20(30)28-26-12(2)14-4-6-16(22)18(24)10-14/h3-6,9-10H,7-8H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide?
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide has a molecular weight of 488.20 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide is sourced from PubChem (CID 3636545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).