N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide

C18H16Cl3N3O2 — CID 4659589

IUPACN'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl3N3O2/c1-11(12-2-4-13(19)5-3-12)23-24-18(26)9-8-17(25)22-16-7-6-14(20)10-15(16)21/h2-7,10H,8-9H2,1H3,(H,22,25)(H,24,26)
InChIKeyQMBGPTAPXRAQNO-UHFFFAOYSA-N
MW412.70 g/mol
LogP4.91
Rot. Bonds6

About N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide

N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide (PubChem CID 4659589) has the molecular formula C18H16Cl3N3O2 and a molecular weight of 412.70 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
PubChem CID4659589
Molecular FormulaC18H16Cl3N3O2
Molecular Weight412.70 g/mol
Exact Mass411.03
IUPAC NameN'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl3N3O2/c1-11(12-2-4-13(19)5-3-12)23-24-18(26)9-8-17(25)22-16-7-6-14(20)10-15(16)21/h2-7,10H,8-9H2,1H3,(H,22,25)(H,24,26)
InChIKeyQMBGPTAPXRAQNO-UHFFFAOYSA-N
XLogP4.91
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 54.91
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'-[1-(4-aminophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 3368990
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6110651
N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3419515
N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide
CID 3404914
ethyl 3-[[4-(2,4-dichloroanilino)-4-oxobutanoyl]hydrazinylidene]-2-methylbutanoate
CID 4659588
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 5254130
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide?
The IUPAC name of N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide (CID 4659589) is N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide?
The canonical SMILES for N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide is CC(=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide?
The InChIKey is QMBGPTAPXRAQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3O2/c1-11(12-2-4-13(19)5-3-12)23-24-18(26)9-8-17(25)22-16-7-6-14(20)10-15(16)21/h2-7,10H,8-9H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide?
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide has a molecular weight of 412.70 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide is sourced from PubChem (CID 4659589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).