[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

C17H19Cl2N2O2+ — CID 8797663

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESC[NH+](CCOc1ccccc1)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-21(9-10-23-14-5-3-2-4-6-14)12-17(22)20-16-11-13(18)7-8-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)/p+1
InChIKeyOECHDDITOCGNHV-UHFFFAOYSA-O
MW354.26 g/mol
LogP2.53
Rot. Bonds7

About [2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (PubChem CID 8797663) has the molecular formula C17H19Cl2N2O2+ and a molecular weight of 354.26 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
PubChem CID8797663
Molecular FormulaC17H19Cl2N2O2+
Molecular Weight354.26 g/mol
Exact Mass353.08
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESC[NH+](CCOc1ccccc1)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O2/c1-21(9-10-23-14-5-3-2-4-6-14)12-17(22)20-16-11-13(18)7-8-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)/p+1
InChIKeyOECHDDITOCGNHV-UHFFFAOYSA-O
XLogP2.53
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797925
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797642
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797585
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
2-(3-bromophenoxy)ethyl-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 9036257
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9252465
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
CID 8797759
N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826760
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
CID 9252186
N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259761

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (CID 8797663) is [2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is C[NH+](CCOc1ccccc1)CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The InChIKey is OECHDDITOCGNHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-21(9-10-23-14-5-3-2-4-6-14)12-17(22)20-16-11-13(18)7-8-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)/p+1.
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium has a molecular weight of 354.26 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8797663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).