2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline

C14H10Cl4N2 — CID 4291691

IUPAC2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline
SMILESCC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl4N2/c1-8(9-2-4-10(15)5-3-9)19-20-14-12(17)6-11(16)7-13(14)18/h2-7,20H,1H3
InChIKeyNQTOBYSEJRIWBH-UHFFFAOYSA-N
MW348.06 g/mol
LogP6.14
Rot. Bonds3

About 2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline

2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline (PubChem CID 4291691) has the molecular formula C14H10Cl4N2 and a molecular weight of 348.06 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline
PubChem CID4291691
Molecular FormulaC14H10Cl4N2
Molecular Weight348.06 g/mol
Exact Mass345.96
IUPAC Name2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline
SMILESCC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl4N2/c1-8(9-2-4-10(15)5-3-9)19-20-14-12(17)6-11(16)7-13(14)18/h2-7,20H,1H3
InChIKeyNQTOBYSEJRIWBH-UHFFFAOYSA-N
XLogP6.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.06
LogP ≤ 56.14
H-Bond Donors ≤ 51
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

2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline
CID 3972659
2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline
CID 5006880
2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
CID 137300721
4-bromo-2-[(E)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
CID 135445548
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline
CID 529810
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 9015378
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
(NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine
CID 135445545
N-[2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine
CID 135456479
2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylideneamino]aniline
CID 2739557

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline (CID 4291691) is 2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline is CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline?
The InChIKey is NQTOBYSEJRIWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2/c1-8(9-2-4-10(15)5-3-9)19-20-14-12(17)6-11(16)7-13(14)18/h2-7,20H,1H3.
What are the key properties of 2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline?
2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline has a molecular weight of 348.06 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline is sourced from PubChem (CID 4291691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).