[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium

C20H24ClFN3O3+ — CID 9222316

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C20H23ClFN3O3/c1-24(12-19(26)23-17-10-15(21)7-8-18(17)28-3)13-20(27)25(2)11-14-5-4-6-16(22)9-14/h4-10H,11-13H2,1-3H3,(H,23,26)/p+1
InChIKeyHXNYMNIRICLQIG-UHFFFAOYSA-O
MW408.88 g/mol
LogP1.60
Rot. Bonds8

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium (PubChem CID 9222316) has the molecular formula C20H24ClFN3O3+ and a molecular weight of 408.88 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
PubChem CID9222316
Molecular FormulaC20H24ClFN3O3+
Molecular Weight408.88 g/mol
Exact Mass408.15
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C20H23ClFN3O3/c1-24(12-19(26)23-17-10-15(21)7-8-18(17)28-3)13-20(27)25(2)11-14-5-4-6-16(22)9-14/h4-10H,11-13H2,1-3H3,(H,23,26)/p+1
InChIKeyHXNYMNIRICLQIG-UHFFFAOYSA-O
XLogP1.60
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222371
N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9222317
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]azanium
CID 8793994
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250367
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8788847
N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9222315
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2698245
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]azanium
CID 8557785
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9222379
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-(3-nitroanilino)-2-oxoethyl]azanium
CID 2658205

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium (CID 9222316) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium is COc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is HXNYMNIRICLQIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23ClFN3O3/c1-24(12-19(26)23-17-10-15(21)7-8-18(17)28-3)13-20(27)25(2)11-14-5-4-6-16(22)9-14/h4-10H,11-13H2,1-3H3,(H,23,26)/p+1.
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 408.88 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9222316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).