(2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone

C18H20ClNO4 — CID 129007482

IUPAC(2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(C)(O)C2CCCN2C(=O)c2ccoc2Cl)cc1
InChIInChI=1S/C18H20ClNO4/c1-18(22,12-5-7-13(23-2)8-6-12)15-4-3-10-20(15)17(21)14-9-11-24-16(14)19/h5-9,11,15,22H,3-4,10H2,1-2H3
InChIKeyNDUMMAWHIUVVKJ-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.45
Rot. Bonds4

About (2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone

(2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone (PubChem CID 129007482) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
PubChem CID129007482
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name(2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(C)(O)C2CCCN2C(=O)c2ccoc2Cl)cc1
InChIInChI=1S/C18H20ClNO4/c1-18(22,12-5-7-13(23-2)8-6-12)15-4-3-10-20(15)17(21)14-9-11-24-16(14)19/h5-9,11,15,22H,3-4,10H2,1-2H3
InChIKeyNDUMMAWHIUVVKJ-UHFFFAOYSA-N
XLogP3.45
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128974674
(4-chloro-1H-pyrrol-2-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128974712
4-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 154795378
[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 167887230
(2,6-dimethylpyrimidin-4-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128994946
[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128974683
4-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
CID 128999183
(2R)-N-(3-chloro-1-benzothiophen-2-yl)-2-[(1S)-1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 97088434
(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 106685775
1-(2-chlorofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106685344
(2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 97088441
(2-chlorofuran-3-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 106686764

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone (CID 129007482) is (2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone is COc1ccc(C(C)(O)C2CCCN2C(=O)c2ccoc2Cl)cc1.
What is the InChIKey of (2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone?
The InChIKey is NDUMMAWHIUVVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-18(22,12-5-7-13(23-2)8-6-12)15-4-3-10-20(15)17(21)14-9-11-24-16(14)19/h5-9,11,15,22H,3-4,10H2,1-2H3.
What are the key properties of (2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone?
(2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone has a molecular weight of 349.81 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129007482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).