(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate

C16H20ClNO4 — CID 2356201

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C16H20ClNO4/c1-16(2,22-13-7-5-12(17)6-8-13)15(20)21-11-14(19)18-9-3-4-10-18/h5-8H,3-4,9-11H2,1-2H3
InChIKeyJUWNFZNTCNGIJE-UHFFFAOYSA-N
MW325.79 g/mol
LogP2.66
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 2356201) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID2356201
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C16H20ClNO4/c1-16(2,22-13-7-5-12(17)6-8-13)15(20)21-11-14(19)18-9-3-4-10-18/h5-8H,3-4,9-11H2,1-2H3
InChIKeyJUWNFZNTCNGIJE-UHFFFAOYSA-N
XLogP2.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Meclofenoxate
CID 4039
Meclofenoxate Hydrochloride
CID 19379
Clofibride
CID 160134
Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2432738
(4-Chloro-phenoxy)-acetic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2928132
1-[4-(4-Chlorophenoxy)-2-butyn-1-yl]pyrrolidine oxalate
CID 2961328
[1-(Dimethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 658406
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653
2-(4-Chloro-phenoxy)-1-(4-cyclopentyl-piperazin-1-yl)-ethanone
CID 17369419
trans-2-(4-chlorophenoxy)-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]acetamide, hydrochloride
CID 45262950
1-[(2,4-Dichlorophenoxy)acetyl]pyrrolidine
CID 544487

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate (CID 2356201) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate is CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is JUWNFZNTCNGIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-16(2,22-13-7-5-12(17)6-8-13)15(20)21-11-14(19)18-9-3-4-10-18/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 325.79 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 2356201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).