1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine

C16H12Cl4N2 — CID 2827019

IUPAC1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
SMILESCC(=NN=C(C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl4N2/c1-9(11-3-5-13(17)15(19)7-11)21-22-10(2)12-4-6-14(18)16(20)8-12/h3-8H,1-2H3
InChIKeyUUHPCZQERPHDJK-UHFFFAOYSA-N
MW374.10 g/mol
LogP6.53
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine

1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine (PubChem CID 2827019) has the molecular formula C16H12Cl4N2 and a molecular weight of 374.10 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
PubChem CID2827019
Molecular FormulaC16H12Cl4N2
Molecular Weight374.10 g/mol
Exact Mass371.98
IUPAC Name1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
SMILESCC(=NN=C(C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl4N2/c1-9(11-3-5-13(17)15(19)7-11)21-22-10(2)12-4-6-14(18)16(20)8-12/h3-8H,1-2H3
InChIKeyUUHPCZQERPHDJK-UHFFFAOYSA-N
XLogP6.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.10
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048
(NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide
CID 164646072
[(E)-1-(3,4-dichlorophenyl)ethylideneamino] acetate
CID 138968191
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline
CID 3972659
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]butanediamide
CID 3636545
(E)-1-(3,4-dimethylphenyl)-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]ethanimine
CID 177451441
4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene
CID 87184625
N,N'-bis[1-(3,4-dichlorophenyl)ethylideneamino]octanediamide
CID 3439287
1,2-dichloro-4-[(E)-4-chlorobut-2-en-2-yl]benzene
CID 131856850
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-diphenyl-1,3-thiazolidin-4-one
CID 122194404

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine (CID 2827019) is 1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine is CC(=NN=C(C)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine?
The InChIKey is UUHPCZQERPHDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl4N2/c1-9(11-3-5-13(17)15(19)7-11)21-22-10(2)12-4-6-14(18)16(20)8-12/h3-8H,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine?
1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine has a molecular weight of 374.10 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine is sourced from PubChem (CID 2827019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).