[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium

C19H21Cl2FN3O2+ — CID 8780418

IUPAC[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H20Cl2FN3O2/c1-3-25(10-18(26)23-16-7-6-13(20)8-15(16)22)11-19(27)24-17-9-14(21)5-4-12(17)2/h4-9H,3,10-11H2,1-2H3,(H,23,26)(H,24,27)/p+1
InChIKeyQHIWCEWWGIWWGY-UHFFFAOYSA-O
MW413.30 g/mol
LogP2.92
Rot. Bonds7

About [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium (PubChem CID 8780418) has the molecular formula C19H21Cl2FN3O2+ and a molecular weight of 413.30 g/mol. Its IUPAC name is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
PubChem CID8780418
Molecular FormulaC19H21Cl2FN3O2+
Molecular Weight413.30 g/mol
Exact Mass412.10
IUPAC Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H20Cl2FN3O2/c1-3-25(10-18(26)23-16-7-6-13(20)8-15(16)22)11-19(27)24-17-9-14(21)5-4-12(17)2/h4-9H,3,10-11H2,1-2H3,(H,23,26)(H,24,27)/p+1
InChIKeyQHIWCEWWGIWWGY-UHFFFAOYSA-O
XLogP2.92
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium with MolForge

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]azanium
CID 8780465
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium
CID 8791722
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8791716
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-ethylazanium
CID 8780492
benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8780392
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium
CID 8791833
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780428
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-ethylazanium
CID 11933392
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8766648
benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8541608

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium (CID 8780418) is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium?
The InChIKey is QHIWCEWWGIWWGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20Cl2FN3O2/c1-3-25(10-18(26)23-16-7-6-13(20)8-15(16)22)11-19(27)24-17-9-14(21)5-4-12(17)2/h4-9H,3,10-11H2,1-2H3,(H,23,26)(H,24,27)/p+1.
What are the key properties of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium?
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium has a molecular weight of 413.30 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8780418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).