N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride

C22H26Cl2N2 — CID 15268673

IUPACN,N'-bis(4-butylphenyl)ethanediimidoyl dichloride
SMILESCCCCc1ccc(/N=C(Cl)/C(Cl)=N/c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C22H26Cl2N2/c1-3-5-7-17-9-13-19(14-10-17)25-21(23)22(24)26-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3/b25-21-,26-22-
InChIKeyJZWYOTZEBDMKKG-ORFRIDJFSA-N
MW389.37 g/mol
LogP7.61
Rot. Bonds9

About N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride

N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride (PubChem CID 15268673) has the molecular formula C22H26Cl2N2 and a molecular weight of 389.37 g/mol. Its IUPAC name is N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride.

Molecular Properties

Compound NameN,N'-bis(4-butylphenyl)ethanediimidoyl dichloride
PubChem CID15268673
Molecular FormulaC22H26Cl2N2
Molecular Weight389.37 g/mol
Exact Mass388.15
IUPAC NameN,N'-bis(4-butylphenyl)ethanediimidoyl dichloride
SMILESCCCCc1ccc(/N=C(Cl)/C(Cl)=N/c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C22H26Cl2N2/c1-3-5-7-17-9-13-19(14-10-17)25-21(23)22(24)26-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3/b25-21-,26-22-
InChIKeyJZWYOTZEBDMKKG-ORFRIDJFSA-N
XLogP7.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.37
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-N,6-N-bis(4-tricosylphenyl)decane-5,6-diimine
CID 87910659
N,N'-bis(4-butylphenyl)methanediimine
CID 87580570
bis(4-decylphenyl)diazene
CID 71359462
3-N,4-N-bis(4-undecylphenyl)dodecane-3,4-diimine
CID 87874819
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
4-butylphenol;tungsten
CID 174758928
bis[4-[(4-butylphenyl)diazenyl]-3,5-dimethylphenyl]diazene
CID 100995300
1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970990
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
2-N,3-N-bis(4-henicosylphenyl)heptane-2,3-diimine;nickel
CID 87912567

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride?
The IUPAC name of N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride (CID 15268673) is N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride.
What is the SMILES notation for N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride?
The canonical SMILES for N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride is CCCCc1ccc(/N=C(Cl)/C(Cl)=N/c2ccc(CCCC)cc2)cc1.
What is the InChIKey of N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride?
The InChIKey is JZWYOTZEBDMKKG-ORFRIDJFSA-N. The full InChI is InChI=1S/C22H26Cl2N2/c1-3-5-7-17-9-13-19(14-10-17)25-21(23)22(24)26-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3/b25-21-,26-22-.
What are the key properties of N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride?
N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride has a molecular weight of 389.37 g/mol, XLogP of 7.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-butylphenyl)ethanediimidoyl dichloride is sourced from PubChem (CID 15268673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).