(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone

C15H13Cl2NO2 — CID 51935584

IUPAC(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1CCC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2/c16-11-5-3-10(4-6-11)12-2-1-9-18(12)15(19)13-7-8-14(17)20-13/h3-8,12H,1-2,9H2/t12-/m0/s1
InChIKeyIVLOKGPOEHREAF-LBPRGKRZSA-N
MW310.18 g/mol
LogP4.56
Rot. Bonds2

About (5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone

(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 51935584) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID51935584
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1CCC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2/c16-11-5-3-10(4-6-11)12-2-1-9-18(12)15(19)13-7-8-14(17)20-13/h3-8,12H,1-2,9H2/t12-/m0/s1
InChIKeyIVLOKGPOEHREAF-LBPRGKRZSA-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

(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695
(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95319796
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 47313418
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
CID 106689862
(5-chlorofuran-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651425
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 42953210
(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95308437

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone (CID 51935584) is (5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)o1)N1CCC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is IVLOKGPOEHREAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-11-5-3-10(4-6-11)12-2-1-9-18(12)15(19)13-7-8-14(17)20-13/h3-8,12H,1-2,9H2/t12-/m0/s1.
What are the key properties of (5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone?
(5-chlorofuran-2-yl)-[(2S)-2-(4-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 (5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51935584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).