[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium

C20H25ClN3O4+ — CID 9222379

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccccc1CNC(=O)C[NH+](C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C20H24ClN3O4/c1-24(12-19(25)22-11-14-6-4-5-7-17(14)27-2)13-20(26)23-16-10-15(21)8-9-18(16)28-3/h4-10H,11-13H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyWUOJNJFRZOMCLA-UHFFFAOYSA-O
MW406.89 g/mol
LogP1.13
Rot. Bonds9

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium (PubChem CID 9222379) has the molecular formula C20H25ClN3O4+ and a molecular weight of 406.89 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
PubChem CID9222379
Molecular FormulaC20H25ClN3O4+
Molecular Weight406.89 g/mol
Exact Mass406.15
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccccc1CNC(=O)C[NH+](C)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C20H24ClN3O4/c1-24(12-19(25)22-11-14-6-4-5-7-17(14)27-2)13-20(26)23-16-10-15(21)8-9-18(16)28-3/h4-10H,11-13H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyWUOJNJFRZOMCLA-UHFFFAOYSA-O
XLogP1.13
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945457
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(2-cyanophenyl)methyl]-methylazanium
CID 8793980
N-(5-chloro-2-methoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962957
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 7830809
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 55430628
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium
CID 9248126
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222371
(2,4-dichlorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196953
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2698245
N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108501079

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium (CID 9222379) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium is COc1ccccc1CNC(=O)C[NH+](C)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is WUOJNJFRZOMCLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClN3O4/c1-24(12-19(25)22-11-14-6-4-5-7-17(14)27-2)13-20(26)23-16-10-15(21)8-9-18(16)28-3/h4-10H,11-13H2,1-3H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 406.89 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9222379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).