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

C17H18Cl3N2O2+ — CID 8761435

IUPAC(4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl3N2O2/c1-22(9-11-3-5-13(24-2)6-4-11)10-16(23)21-17-14(19)7-12(18)8-15(17)20/h3-8H,9-10H2,1-2H3,(H,21,23)/p+1
InChIKeyIXPJLZLIGGADTJ-UHFFFAOYSA-O
MW388.70 g/mol
LogP3.31
Rot. Bonds6

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

(4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium (PubChem CID 8761435) has the molecular formula C17H18Cl3N2O2+ and a molecular weight of 388.70 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
PubChem CID8761435
Molecular FormulaC17H18Cl3N2O2+
Molecular Weight388.70 g/mol
Exact Mass387.04
IUPAC Name(4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl3N2O2/c1-22(9-11-3-5-13(24-2)6-4-11)10-16(23)21-17-14(19)7-12(18)8-15(17)20/h3-8H,9-10H2,1-2H3,(H,21,23)/p+1
InChIKeyIXPJLZLIGGADTJ-UHFFFAOYSA-O
XLogP3.31
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8770051
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054318
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698907
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778299
(6-methoxynaphthalen-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9054021
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9053942
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761145
[2-(3-ethylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778311
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2534470
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761613

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
The IUPAC name of (4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium (CID 8761435) is (4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
The canonical SMILES for (4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium is COc1ccc(C[NH+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
The InChIKey is IXPJLZLIGGADTJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17Cl3N2O2/c1-22(9-11-3-5-13(24-2)6-4-11)10-16(23)21-17-14(19)7-12(18)8-15(17)20/h3-8H,9-10H2,1-2H3,(H,21,23)/p+1.
What are the key properties of (4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium?
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium has a molecular weight of 388.70 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium is sourced from PubChem (CID 8761435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).