1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine

C14H9Cl4F3N4 — CID 134210964

IUPAC1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine
SMILESCC(NN=C(c1ncc(Cl)nc1Cl)C(F)(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl4F3N4/c1-6(8-3-2-7(15)4-9(8)16)24-25-12(14(19,20)21)11-13(18)23-10(17)5-22-11/h2-6,24H,1H3
InChIKeyNWDABNYZJOKYTL-UHFFFAOYSA-N
MW432.06 g/mol
LogP5.71
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine

1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine (PubChem CID 134210964) has the molecular formula C14H9Cl4F3N4 and a molecular weight of 432.06 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine
PubChem CID134210964
Molecular FormulaC14H9Cl4F3N4
Molecular Weight432.06 g/mol
Exact Mass429.95
IUPAC Name1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine
SMILESCC(NN=C(c1ncc(Cl)nc1Cl)C(F)(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl4F3N4/c1-6(8-3-2-7(15)4-9(8)16)24-25-12(14(19,20)21)11-13(18)23-10(17)5-22-11/h2-6,24H,1H3
InChIKeyNWDABNYZJOKYTL-UHFFFAOYSA-N
XLogP5.71
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.06
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(2,4-dichlorophenyl)-N-[(E)-[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine
CID 134211245
ethyl 6-chloro-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl (2E)-2-[1-(2,4-dichlorophenyl)ethylhydrazinylidene]-2-(3,5-dichloropyrazin-2-yl)acetate;ethyl (2Z)-2-[1-(2,4-dichlorophenyl)ethylhydrazinylidene]-2-(3,5-dichloropyrazin-2-yl)acetate
CID 159825810
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867800
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
6-chloro-1-[(1S)-1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carboxylic acid
CID 134324965
1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
CID 61271013
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine (CID 134210964) is 1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine is CC(NN=C(c1ncc(Cl)nc1Cl)C(F)(F)F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine?
The InChIKey is NWDABNYZJOKYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4F3N4/c1-6(8-3-2-7(15)4-9(8)16)24-25-12(14(19,20)21)11-13(18)23-10(17)5-22-11/h2-6,24H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine?
1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine has a molecular weight of 432.06 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[[1-(3,5-dichloropyrazin-2-yl)-2,2,2-trifluoroethylidene]amino]ethanamine is sourced from PubChem (CID 134210964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).