2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C20H25ClN2O3 — CID 26834699

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCC2)o1
InChIInChI=1S/C20H25ClN2O3/c1-14-11-16(6-7-17(14)21)25-13-20(24)22-12-18(23-9-3-4-10-23)19-8-5-15(2)26-19/h5-8,11,18H,3-4,9-10,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyCWKRXLFFZXZBMT-SFHVURJKSA-N
MW376.88 g/mol
LogP3.88
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 26834699) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID26834699
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCC2)o1
InChIInChI=1S/C20H25ClN2O3/c1-14-11-16(6-7-17(14)21)25-13-20(24)22-12-18(23-9-3-4-10-23)19-8-5-15(2)26-19/h5-8,11,18H,3-4,9-10,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyCWKRXLFFZXZBMT-SFHVURJKSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052575
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 51628719
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799085
2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052569
2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 26834553
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834661
N-[(2S)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 34953202
2-(3-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 51927031
2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 51133132
2-(2,5-dichlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164234
2-(2-chloro-5-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164100

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 26834699) is 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCC2)o1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is CWKRXLFFZXZBMT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-14-11-16(6-7-17(14)21)25-13-20(24)22-12-18(23-9-3-4-10-23)19-8-5-15(2)26-19/h5-8,11,18H,3-4,9-10,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 376.88 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 26834699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).