N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide

C34H28Cl4N6O4 — CID 3404914

IUPACN,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C34H28Cl4N6O4/c1-19(21-3-9-25(10-4-21)39-33(47)27-13-7-23(35)17-29(27)37)41-43-31(45)15-16-32(46)44-42-20(2)22-5-11-26(12-6-22)40-34(48)28-14-8-24(36)18-30(28)38/h3-14,17-18H,15-16H2,1-2H3,(H,39,47)(H,40,48)(H,43,45)(H,44,46)
InChIKeyLLFFVFQUWATCGU-UHFFFAOYSA-N
MW726.45 g/mol
LogP7.97
Rot. Bonds11

About N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide

N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide (PubChem CID 3404914) has the molecular formula C34H28Cl4N6O4 and a molecular weight of 726.45 g/mol. Its IUPAC name is N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide
PubChem CID3404914
Molecular FormulaC34H28Cl4N6O4
Molecular Weight726.45 g/mol
Exact Mass724.09
IUPAC NameN,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C34H28Cl4N6O4/c1-19(21-3-9-25(10-4-21)39-33(47)27-13-7-23(35)17-29(27)37)41-43-31(45)15-16-32(46)44-42-20(2)22-5-11-26(12-6-22)40-34(48)28-14-8-24(36)18-30(28)38/h3-14,17-18H,15-16H2,1-2H3,(H,39,47)(H,40,48)(H,43,45)(H,44,46)
InChIKeyLLFFVFQUWATCGU-UHFFFAOYSA-N
XLogP7.97
TPSA141.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.45
LogP ≤ 57.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

2,4-dichloro-N-[4-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]benzamide
CID 4159256
2,4-dichloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4521361
2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 3645170
3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6177494
2,4-dichloro-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 3688063
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 27525119
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide?
The IUPAC name of N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide (CID 3404914) is N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide is CC(=NNC(=O)CCC(=O)NN=C(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide?
The InChIKey is LLFFVFQUWATCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28Cl4N6O4/c1-19(21-3-9-25(10-4-21)39-33(47)27-13-7-23(35)17-29(27)37)41-43-31(45)15-16-32(46)44-42-20(2)22-5-11-26(12-6-22)40-34(48)28-14-8-24(36)18-30(28)38/h3-14,17-18H,15-16H2,1-2H3,(H,39,47)(H,40,48)(H,43,45)(H,44,46).
What are the key properties of N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide?
N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide has a molecular weight of 726.45 g/mol, XLogP of 7.97, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide is sourced from PubChem (CID 3404914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).