methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium

C18H19Cl3N3O2+ — CID 8729190

IUPACmethyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl3N3O2/c1-11-3-5-13(6-4-11)22-16(25)9-24(2)10-17(26)23-18-14(20)7-12(19)8-15(18)21/h3-8H,9-10H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyAEXBNMVQCPHURT-UHFFFAOYSA-O
MW415.73 g/mol
LogP3.05
Rot. Bonds6

About methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium

methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium (PubChem CID 8729190) has the molecular formula C18H19Cl3N3O2+ and a molecular weight of 415.73 g/mol. Its IUPAC name is methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
PubChem CID8729190
Molecular FormulaC18H19Cl3N3O2+
Molecular Weight415.73 g/mol
Exact Mass414.05
IUPAC Namemethyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl3N3O2/c1-11-3-5-13(6-4-11)22-16(25)9-24(2)10-17(26)23-18-14(20)7-12(19)8-15(18)21/h3-8H,9-10H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyAEXBNMVQCPHURT-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 methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium with MolForge

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Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785754
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2698061
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729153
(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714126
methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287215
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 2699212
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588581
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287213
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588768
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8761435
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
The IUPAC name of methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium (CID 8729190) is methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium.
What is the SMILES notation for methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
The canonical SMILES for methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
The InChIKey is AEXBNMVQCPHURT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18Cl3N3O2/c1-11-3-5-13(6-4-11)22-16(25)9-24(2)10-17(26)23-18-14(20)7-12(19)8-15(18)21/h3-8H,9-10H2,1-2H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium 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 methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium is sourced from PubChem (CID 8729190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).