(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

C15H13Cl2NO2 — CID 106686355

IUPAC(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccoc1Cl)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c16-12-5-2-1-4-10(12)13-6-3-8-18(13)15(19)11-7-9-20-14(11)17/h1-2,4-5,7,9,13H,3,6,8H2
InChIKeyMXCOSAQPDYWUOX-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.56
Rot. Bonds2

About (2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone

(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 106686355) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID106686355
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccoc1Cl)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c16-12-5-2-1-4-10(12)13-6-3-8-18(13)15(19)11-7-9-20-14(11)17/h1-2,4-5,7,9,13H,3,6,8H2
InChIKeyMXCOSAQPDYWUOX-UHFFFAOYSA-N
XLogP4.56
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 106686175
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053533
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 51612979
1-(2-chlorofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106685344
(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 106685775
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 51694860
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone (CID 106686355) is (2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is O=C(c1ccoc1Cl)N1CCCC1c1ccccc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is MXCOSAQPDYWUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-12-5-2-1-4-10(12)13-6-3-8-18(13)15(19)11-7-9-20-14(11)17/h1-2,4-5,7,9,13H,3,6,8H2.
What are the key properties of (2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone?
(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 310.18 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 106686355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).