2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone

C17H17ClN2O — CID 110871568

IUPAC2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC1c1cccnc1
InChIInChI=1S/C17H17ClN2O/c18-15-7-5-13(6-8-15)11-17(21)20-10-2-4-16(20)14-3-1-9-19-12-14/h1,3,5-9,12,16H,2,4,10-11H2
InChIKeyLNOSPTKQIAPWMX-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone

2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone (PubChem CID 110871568) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
PubChem CID110871568
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC1c1cccnc1
InChIInChI=1S/C17H17ClN2O/c18-15-7-5-13(6-8-15)11-17(21)20-10-2-4-16(20)14-3-1-9-19-12-14/h1,3,5-9,12,16H,2,4,10-11H2
InChIKeyLNOSPTKQIAPWMX-UHFFFAOYSA-N
XLogP3.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125145404
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-pyrimidin-5-ylethanone
CID 166212254
2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120647981
6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 65290350
2-(4-chlorophenyl)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 94457878
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 94041150

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone (CID 110871568) is 2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CCCC1c1cccnc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone?
The InChIKey is LNOSPTKQIAPWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-7-5-13(6-8-15)11-17(21)20-10-2-4-16(20)14-3-1-9-19-12-14/h1,3,5-9,12,16H,2,4,10-11H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone?
2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone has a molecular weight of 300.79 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 110871568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).