2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone

C16H15Cl2NO3 — CID 110603811

IUPAC2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCC(c2ccco2)C1
InChIInChI=1S/C16H15Cl2NO3/c17-12-3-4-15(13(18)8-12)22-10-16(20)19-6-5-11(9-19)14-2-1-7-21-14/h1-4,7-8,11H,5-6,9-10H2
InChIKeyFFIQGVDMPAXUFM-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.98
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone

2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 110603811) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID110603811
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCC(c2ccco2)C1
InChIInChI=1S/C16H15Cl2NO3/c17-12-3-4-15(13(18)8-12)22-10-16(20)19-6-5-11(9-19)14-2-1-7-21-14/h1-4,7-8,11H,5-6,9-10H2
InChIKeyFFIQGVDMPAXUFM-UHFFFAOYSA-N
XLogP3.98
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[(7S)-7-(furan-2-yl)-1,4-thiazepan-4-yl]ethanone
CID 99878831
1-[(3S)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 94929566
2-(2,4-dichlorophenoxy)-1-(3-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 131702200
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 166893420
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
2-(2,4-dichlorophenoxy)-1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]ethanone
CID 90594652
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819731
1-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 155952715
(3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide
CID 97141170
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119592635
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone
CID 110739797

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone (CID 110603811) is 2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1Cl)N1CCC(c2ccco2)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is FFIQGVDMPAXUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c17-12-3-4-15(13(18)8-12)22-10-16(20)19-6-5-11(9-19)14-2-1-7-21-14/h1-4,7-8,11H,5-6,9-10H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone?
2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 340.21 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110603811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).