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

C20H20Cl2N4O2 — CID 3140698

IUPACN,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20Cl2N4O2/c1-13(15-3-7-17(21)8-4-15)23-25-19(27)11-12-20(28)26-24-14(2)16-5-9-18(22)10-6-16/h3-10H,11-12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYMFXHDYMOUJBQL-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.15
Rot. Bonds7

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

N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide (PubChem CID 3140698) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
PubChem CID3140698
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC NameN,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20Cl2N4O2/c1-13(15-3-7-17(21)8-4-15)23-25-19(27)11-12-20(28)26-24-14(2)16-5-9-18(22)10-6-16/h3-10H,11-12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyYMFXHDYMOUJBQL-UHFFFAOYSA-N
XLogP4.15
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.15
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'}

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Related Compounds

N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
4-chloro-N-[4-[N-(hexanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5075525
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide
CID 3404914
N'-[1-(4-aminophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 3368990
N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide
CID 4173019
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 126273536

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide?
The IUPAC name of N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide (CID 3140698) is N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide is CC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide?
The InChIKey is YMFXHDYMOUJBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-13(15-3-7-17(21)8-4-15)23-25-19(27)11-12-20(28)26-24-14(2)16-5-9-18(22)10-6-16/h3-10H,11-12H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide?
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide has a molecular weight of 419.31 g/mol, XLogP of 4.15, 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-(4-chlorophenyl)ethylideneamino]butanediamide is sourced from PubChem (CID 3140698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).