benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium

C17H19Cl2N2O+ — CID 8541446

IUPACbenzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-2-21(11-13-7-4-3-5-8-13)12-16(22)20-17-14(18)9-6-10-15(17)19/h3-10H,2,11-12H2,1H3,(H,20,22)/p+1
InChIKeyBUZAFIKGCWKHCN-UHFFFAOYSA-O
MW338.26 g/mol
LogP3.04
Rot. Bonds6

About benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium

benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium (PubChem CID 8541446) has the molecular formula C17H19Cl2N2O+ and a molecular weight of 338.26 g/mol. Its IUPAC name is benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Namebenzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium
PubChem CID8541446
Molecular FormulaC17H19Cl2N2O+
Molecular Weight338.26 g/mol
Exact Mass337.09
IUPAC Namebenzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-2-21(11-13-7-4-3-5-8-13)12-16(22)20-17-14(18)9-6-10-15(17)19/h3-10H,2,11-12H2,1H3,(H,20,22)/p+1
InChIKeyBUZAFIKGCWKHCN-UHFFFAOYSA-O
XLogP3.04
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium
CID 9287075
benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8541608
benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium
CID 8541486
benzyl-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8541329
(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287215
benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8541334
benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8541461
benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium
CID 8547549
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541556
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium?
The IUPAC name of benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium (CID 8541446) is benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1.
What is the InChIKey of benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium?
The InChIKey is BUZAFIKGCWKHCN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18Cl2N2O/c1-2-21(11-13-7-4-3-5-8-13)12-16(22)20-17-14(18)9-6-10-15(17)19/h3-10H,2,11-12H2,1H3,(H,20,22)/p+1.
What are the key properties of benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium?
benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium has a molecular weight of 338.26 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8541446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).