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

C24H26Cl4N4O2 — CID 3439287

IUPACN,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
SMILESCC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H26Cl4N4O2/c1-15(17-9-11-19(25)21(27)13-17)29-31-23(33)7-5-3-4-6-8-24(34)32-30-16(2)18-10-12-20(26)22(28)14-18/h9-14H,3-8H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyBMZMUSXZXSBCLM-UHFFFAOYSA-N
MW544.31 g/mol
LogP7.02
Rot. Bonds11

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

N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide (PubChem CID 3439287) has the molecular formula C24H26Cl4N4O2 and a molecular weight of 544.31 g/mol. Its IUPAC name is N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
PubChem CID3439287
Molecular FormulaC24H26Cl4N4O2
Molecular Weight544.31 g/mol
Exact Mass542.08
IUPAC NameN,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
SMILESCC(=NNC(=O)CCCCCCC(=O)NN=C(C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H26Cl4N4O2/c1-15(17-9-11-19(25)21(27)13-17)29-31-23(33)7-5-3-4-6-8-24(34)32-30-16(2)18-10-12-20(26)22(28)14-18/h9-14H,3-8H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyBMZMUSXZXSBCLM-UHFFFAOYSA-N
XLogP7.02
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.31
LogP ≤ 57.02
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

N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N,N'-bis[1-(3,4-dimethoxyphenyl)ethylideneamino]octanediamide
CID 5058567
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide?
The IUPAC name of N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide (CID 3439287) is N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide.
What is the SMILES notation for N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide?
The canonical SMILES for N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide is CC(=NNC(=O)CCCCCCC(=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]octanediamide?
The InChIKey is BMZMUSXZXSBCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl4N4O2/c1-15(17-9-11-19(25)21(27)13-17)29-31-23(33)7-5-3-4-6-8-24(34)32-30-16(2)18-10-12-20(26)22(28)14-18/h9-14H,3-8H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide?
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide has a molecular weight of 544.31 g/mol, XLogP of 7.02, 11 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]octanediamide is sourced from PubChem (CID 3439287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).