(2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide

C20H25ClN2O3 — CID 52515023

IUPAC(2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)N2CCCC2)o1
InChIInChI=1S/C20H25ClN2O3/c1-14-9-10-19(25-14)17(23-11-5-6-12-23)13-22-20(24)15(2)26-18-8-4-3-7-16(18)21/h3-4,7-10,15,17H,5-6,11-13H2,1-2H3,(H,22,24)/t15-,17+/m0/s1
InChIKeyJKAFOLNSLIGFBJ-DOTOQJQBSA-N
MW376.88 g/mol
LogP3.96
Rot. Bonds7

About (2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide

(2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 52515023) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID52515023
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)N2CCCC2)o1
InChIInChI=1S/C20H25ClN2O3/c1-14-9-10-19(25-14)17(23-11-5-6-12-23)13-22-20(24)15(2)26-18-8-4-3-7-16(18)21/h3-4,7-10,15,17H,5-6,11-13H2,1-2H3,(H,22,24)/t15-,17+/m0/s1
InChIKeyJKAFOLNSLIGFBJ-DOTOQJQBSA-N
XLogP3.96
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
(2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 35345326
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)propanamide
CID 51283112
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide
CID 52523158
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 26834553
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834699
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052569

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide (CID 52515023) is (2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide is Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)N2CCCC2)o1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is JKAFOLNSLIGFBJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-14-9-10-19(25-14)17(23-11-5-6-12-23)13-22-20(24)15(2)26-18-8-4-3-7-16(18)21/h3-4,7-10,15,17H,5-6,11-13H2,1-2H3,(H,22,24)/t15-,17+/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 376.88 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 52515023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).