[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium

C18H19Cl2FN3O2+ — CID 9253501

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H18Cl2FN3O2/c1-24(11-18(26)23-15-6-4-14(21)5-7-15)10-17(25)22-9-12-2-3-13(19)8-16(12)20/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyULFMTDXGXFTYHU-UHFFFAOYSA-O
MW399.27 g/mol
LogP1.90
Rot. Bonds7

About [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9253501) has the molecular formula C18H19Cl2FN3O2+ and a molecular weight of 399.27 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID9253501
Molecular FormulaC18H19Cl2FN3O2+
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H18Cl2FN3O2/c1-24(11-18(26)23-15-6-4-14(21)5-7-15)10-17(25)22-9-12-2-3-13(19)8-16(12)20/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyULFMTDXGXFTYHU-UHFFFAOYSA-O
XLogP1.90
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253002
[2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8552339
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253430
2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9196861
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]azanium
CID 9252800
N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide
CID 55697658
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 109006915
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9287296
(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9039568
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9303138

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium (CID 9253501) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NCc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is ULFMTDXGXFTYHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18Cl2FN3O2/c1-24(11-18(26)23-15-6-4-14(21)5-7-15)10-17(25)22-9-12-2-3-13(19)8-16(12)20/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 399.27 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9253501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).