2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone

C16H23ClN2O2 — CID 110442714

IUPAC2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(C(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O2/c1-3-18(4-2)14-9-10-19(11-14)16(20)12-21-15-7-5-13(17)6-8-15/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyJELYACIZAQJGPI-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 110442714) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
PubChem CID110442714
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(C(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O2/c1-3-18(4-2)14-9-10-19(11-14)16(20)12-21-15-7-5-13(17)6-8-15/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyJELYACIZAQJGPI-UHFFFAOYSA-N
XLogP2.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63168515
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 112630530
2-(4-chlorophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 91776713
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 62062854
2-(4-chlorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63263451
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
2-(4-chlorophenoxy)-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 121178537
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone (CID 110442714) is 2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone is CCN(CC)C1CCN(C(=O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is JELYACIZAQJGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-18(4-2)14-9-10-19(11-14)16(20)12-21-15-7-5-13(17)6-8-15/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 310.82 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110442714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).