benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium

C18H22ClN2O+ — CID 8541608

IUPACbenzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(Cl)cc1C)Cc1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-3-21(12-15-7-5-4-6-8-15)13-18(22)20-17-10-9-16(19)11-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,22)/p+1
InChIKeyREMAVFBNAZGWFM-UHFFFAOYSA-O
MW317.84 g/mol
LogP2.69
Rot. Bonds6

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

benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium (PubChem CID 8541608) has the molecular formula C18H22ClN2O+ and a molecular weight of 317.84 g/mol. Its IUPAC name is benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Namebenzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
PubChem CID8541608
Molecular FormulaC18H22ClN2O+
Molecular Weight317.84 g/mol
Exact Mass317.14
IUPAC Namebenzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(Cl)cc1C)Cc1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-3-21(12-15-7-5-4-6-8-15)13-18(22)20-17-10-9-16(19)11-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,22)/p+1
InChIKeyREMAVFBNAZGWFM-UHFFFAOYSA-O
XLogP2.69
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8541334
benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium
CID 8541486
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9028002
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780418
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8541461
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345
benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium
CID 8547549
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797925
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8780392

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium?
The IUPAC name of benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium (CID 8541608) is benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1ccc(Cl)cc1C)Cc1ccccc1.
What is the InChIKey of benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium?
The InChIKey is REMAVFBNAZGWFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21ClN2O/c1-3-21(12-15-7-5-4-6-8-15)13-18(22)20-17-10-9-16(19)11-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,22)/p+1.
What are the key properties of benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium?
benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium has a molecular weight of 317.84 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8541608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).