[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

C18H18ClNO3 — CID 2356232

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-20(12-15-5-3-2-4-6-15)17(21)13-23-18(22)11-14-7-9-16(19)10-8-14/h2-10H,11-13H2,1H3
InChIKeyRUFYJPMZXIHIQM-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.08
Rot. Bonds6

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2356232) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2356232
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-20(12-15-5-3-2-4-6-15)17(21)13-23-18(22)11-14-7-9-16(19)10-8-14/h2-10H,11-13H2,1H3
InChIKeyRUFYJPMZXIHIQM-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3645747
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4801850
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16289650
[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl] 4-chlorobenzoate
CID 2360821
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 2428350
[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
methyl (2S)-3-(4-chlorophenyl)-2-(dibenzylamino)propanoate
CID 168289633
[Cyclohexyl(methyl)carbamoyl]methyl 2-(4-chlorophenyl)acetate
CID 2356160
(2-Oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate
CID 2358398
[2-(2-Methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2370631
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2434372

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2356232) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is CN(Cc1ccccc1)C(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is RUFYJPMZXIHIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-20(12-15-5-3-2-4-6-15)17(21)13-23-18(22)11-14-7-9-16(19)10-8-14/h2-10H,11-13H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 331.80 g/mol, XLogP of 3.08, 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-(4-chlorophenyl)acetate is sourced from PubChem (CID 2356232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).