[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium

C18H19Cl2FN3O2+ — CID 9287296

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2FN3O2/c1-24(10-16(25)22-9-12-5-7-13(21)8-6-12)11-17(26)23-18-14(19)3-2-4-15(18)20/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyLLDHJRZCJNXWLS-UHFFFAOYSA-O
MW399.27 g/mol
LogP1.90
Rot. Bonds7

About [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium

[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium (PubChem CID 9287296) has the molecular formula C18H19Cl2FN3O2+ and a molecular weight of 399.27 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
PubChem CID9287296
Molecular FormulaC18H19Cl2FN3O2+
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2FN3O2/c1-24(10-16(25)22-9-12-5-7-13(21)8-6-12)11-17(26)23-18-14(19)3-2-4-15(18)20/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyLLDHJRZCJNXWLS-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-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287215
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197230
1-N'-(2,6-dichlorophenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975902
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252010
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197762
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium
CID 9287075
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253501
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287213

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium (CID 9287296) is [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is LLDHJRZCJNXWLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18Cl2FN3O2/c1-24(10-16(25)22-9-12-5-7-13(21)8-6-12)11-17(26)23-18-14(19)3-2-4-15(18)20/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium?
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-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-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9287296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).