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

C16H15Cl2NO2 — CID 67353486

IUPAC1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone
SMILESO=C(CC1CCN(c2ccoc2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c17-14-2-1-12(8-15(14)18)16(20)7-11-3-5-19(9-11)13-4-6-21-10-13/h1-2,4,6,8,10-11H,3,5,7,9H2
InChIKeyXNGXFIYGYUIPDD-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.69
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone (PubChem CID 67353486) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone
PubChem CID67353486
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone
SMILESO=C(CC1CCN(c2ccoc2)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c17-14-2-1-12(8-15(14)18)16(20)7-11-3-5-19(9-11)13-4-6-21-10-13/h1-2,4,6,8,10-11H,3,5,7,9H2
InChIKeyXNGXFIYGYUIPDD-UHFFFAOYSA-N
XLogP4.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-2-[3-(methylamino)cycloheptyl]ethanone
CID 143503238
2-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]acetyl chloride
CID 148838522
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
2-(cyclopentylmethylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 63407663
4-[3-(aminomethyl)pyrrolidin-1-yl]-3-chlorobenzamide
CID 63092289
3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide
CID 113024830
1-(3,4-dichlorophenyl)-3-(2-methylsulfonylethyl)pyrrolidine
CID 140978552
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 114801684
1-(3-chloro-4-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 55181010
1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one
CID 146794529

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone (CID 67353486) is 1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone is O=C(CC1CCN(c2ccoc2)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone?
The InChIKey is XNGXFIYGYUIPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c17-14-2-1-12(8-15(14)18)16(20)7-11-3-5-19(9-11)13-4-6-21-10-13/h1-2,4,6,8,10-11H,3,5,7,9H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone?
1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone has a molecular weight of 324.21 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[1-(furan-3-yl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 67353486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).