[5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C20H17ClN2O2 — CID 70780277

IUPAC[5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC1c1cccnc1
InChIInChI=1S/C20H17ClN2O2/c21-16-7-2-1-6-15(16)18-9-10-19(25-18)20(24)23-12-4-8-17(23)14-5-3-11-22-13-14/h1-3,5-7,9-11,13,17H,4,8,12H2
InChIKeyRTRSWWPZEZYBGI-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.97
Rot. Bonds3

About [5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

[5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 70780277) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is [5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID70780277
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name[5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC1c1cccnc1
InChIInChI=1S/C20H17ClN2O2/c21-16-7-2-1-6-15(16)18-9-10-19(25-18)20(24)23-12-4-8-17(23)14-5-3-11-22-13-14/h1-3,5-7,9-11,13,17H,4,8,12H2
InChIKeyRTRSWWPZEZYBGI-UHFFFAOYSA-N
XLogP4.97
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 63658212
2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
CID 110871568
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
[5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569557
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 42921889
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 70780277) is [5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC1c1cccnc1.
What is the InChIKey of [5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is RTRSWWPZEZYBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-16-7-2-1-6-15(16)18-9-10-19(25-18)20(24)23-12-4-8-17(23)14-5-3-11-22-13-14/h1-3,5-7,9-11,13,17H,4,8,12H2.
What are the key properties of [5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
[5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 352.82 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 70780277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).