2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C18H21ClN2O3 — CID 41111766

IUPAC2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C18H21ClN2O3/c19-14-6-1-2-7-16(14)24-13-18(22)20-12-15(17-8-5-11-23-17)21-9-3-4-10-21/h1-2,5-8,11,15H,3-4,9-10,12-13H2,(H,20,22)/t15-/m0/s1
InChIKeyLIJVINSXPPJQJP-HNNXBMFYSA-N
MW348.83 g/mol
LogP3.27
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 41111766) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID41111766
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C18H21ClN2O3/c19-14-6-1-2-7-16(14)24-13-18(22)20-12-15(17-8-5-11-23-17)21-9-3-4-10-21/h1-2,5-8,11,15H,3-4,9-10,12-13H2,(H,20,22)/t15-/m0/s1
InChIKeyLIJVINSXPPJQJP-HNNXBMFYSA-N
XLogP3.27
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 17014204
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 23607196
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361
2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 17014506
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 26819379
4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 51952483
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
2-(2-chlorophenoxy)-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 45155134
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52984972

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 41111766) is 2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is O=C(COc1ccccc1Cl)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is LIJVINSXPPJQJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c19-14-6-1-2-7-16(14)24-13-18(22)20-12-15(17-8-5-11-23-17)21-9-3-4-10-21/h1-2,5-8,11,15H,3-4,9-10,12-13H2,(H,20,22)/t15-/m0/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 41111766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).