[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate

C19H20ClNO3 — CID 71822913

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c1-2-21(13-15-8-4-3-5-9-15)18(22)14-24-19(23)12-16-10-6-7-11-17(16)20/h3-11H,2,12-14H2,1H3
InChIKeyGFPJVLJYAQFWNJ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.47
Rot. Bonds7

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

[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate (PubChem CID 71822913) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
PubChem CID71822913
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c1-2-21(13-15-8-4-3-5-9-15)18(22)14-24-19(23)12-16-10-6-7-11-17(16)20/h3-11H,2,12-14H2,1H3
InChIKeyGFPJVLJYAQFWNJ-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate (CID 71822913) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate is CCN(Cc1ccccc1)C(=O)COC(=O)Cc1ccccc1Cl.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
The InChIKey is GFPJVLJYAQFWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-2-21(13-15-8-4-3-5-9-15)18(22)14-24-19(23)12-16-10-6-7-11-17(16)20/h3-11H,2,12-14H2,1H3.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate has a molecular weight of 345.83 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 71822913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).