[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium

C18H19Cl3N3O2+ — CID 9287213

IUPAC[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl3N3O2/c1-11-6-7-15(14(21)8-11)22-16(25)9-24(2)10-17(26)23-18-12(19)4-3-5-13(18)20/h3-8H,9-10H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyQEDBAVGUOXZODJ-UHFFFAOYSA-O
MW415.73 g/mol
LogP3.05
Rot. Bonds6

About [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium

[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9287213) has the molecular formula C18H19Cl3N3O2+ and a molecular weight of 415.73 g/mol. Its IUPAC name is [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
PubChem CID9287213
Molecular FormulaC18H19Cl3N3O2+
Molecular Weight415.73 g/mol
Exact Mass414.05
IUPAC Name[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl3N3O2/c1-11-6-7-15(14(21)8-11)22-16(25)9-24(2)10-17(26)23-18-12(19)4-3-5-13(18)20/h3-8H,9-10H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyQEDBAVGUOXZODJ-UHFFFAOYSA-O
XLogP3.05
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.73
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339154
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9304035
benzyl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2412166
[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-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 9287248
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8559526
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339514
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8729190
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium (CID 9287213) is [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is QEDBAVGUOXZODJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18Cl3N3O2/c1-11-6-7-15(14(21)8-11)22-16(25)9-24(2)10-17(26)23-18-12(19)4-3-5-13(18)20/h3-8H,9-10H2,1-2H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 415.73 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9287213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).