[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C18H17Cl2NO3 — CID 2371185

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2NO3/c1-21(11-13-6-3-2-4-7-13)17(22)12-24-18(23)10-14-15(19)8-5-9-16(14)20/h2-9H,10-12H2,1H3
InChIKeyMNOSYAJJUMMCDR-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.74
Rot. Bonds6

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 2371185) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID2371185
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H17Cl2NO3/c1-21(11-13-6-3-2-4-7-13)17(22)12-24-18(23)10-14-15(19)8-5-9-16(14)20/h2-9H,10-12H2,1H3
InChIKeyMNOSYAJJUMMCDR-UHFFFAOYSA-N
XLogP3.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3645747
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 4638997
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16289650
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2394155
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2514531
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-phenylbutanoate
CID 4876593
[Cyclohexyl(methyl)carbamoyl]methyl 2-(4-chlorophenyl)acetate
CID 2356160
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356232
(2-Oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate
CID 2358398
[2-(Cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2389868
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544649

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 2371185) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is CN(Cc1ccccc1)C(=O)COC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is MNOSYAJJUMMCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-21(11-13-6-3-2-4-7-13)17(22)12-24-18(23)10-14-15(19)8-5-9-16(14)20/h2-9H,10-12H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 366.24 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 2371185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).