(2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate

C14H15Cl2NO4 — CID 3255851

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate
SMILESO=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1CCOCC1
InChIInChI=1S/C14H15Cl2NO4/c15-11-2-1-3-12(16)10(11)8-14(19)21-9-13(18)17-4-6-20-7-5-17/h1-3H,4-9H2
InChIKeyNJGGBMSTGJRWOF-UHFFFAOYSA-N
MW332.18 g/mol
LogP1.94
Rot. Bonds4

About (2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate

(2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate (PubChem CID 3255851) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate
PubChem CID3255851
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate
SMILESO=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1CCOCC1
InChIInChI=1S/C14H15Cl2NO4/c15-11-2-1-3-12(16)10(11)8-14(19)21-9-13(18)17-4-6-20-7-5-17/h1-3H,4-9H2
InChIKeyNJGGBMSTGJRWOF-UHFFFAOYSA-N
XLogP1.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[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-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 4151527
(2-Oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate
CID 2358398
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2365140
[2-(Cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2389868
[2-(Ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2435044
2-(2,6-Dimethylmorpholino)-2-oxoethyl 2,6-dichlorobenzoate
CID 3545684
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4062713

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate (CID 3255851) is (2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate is O=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate?
The InChIKey is NJGGBMSTGJRWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c15-11-2-1-3-12(16)10(11)8-14(19)21-9-13(18)17-4-6-20-7-5-17/h1-3H,4-9H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate?
(2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate has a molecular weight of 332.18 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 3255851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).