2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride

C21H26Cl2N2O3 — CID 52984972

IUPAC2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
SMILESCOc1ccc(C(CNC(=O)COc2ccccc2Cl)N2CCCC2)cc1.Cl
InChIInChI=1S/C21H25ClN2O3.ClH/c1-26-17-10-8-16(9-11-17)19(24-12-4-5-13-24)14-23-21(25)15-27-20-7-3-2-6-18(20)22;/h2-3,6-11,19H,4-5,12-15H2,1H3,(H,23,25);1H
InChIKeyKUINCUPEOVERNT-UHFFFAOYSA-N
MW425.36 g/mol
LogP4.10
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride

2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride (PubChem CID 52984972) has the molecular formula C21H26Cl2N2O3 and a molecular weight of 425.36 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
PubChem CID52984972
Molecular FormulaC21H26Cl2N2O3
Molecular Weight425.36 g/mol
Exact Mass424.13
IUPAC Name2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
SMILESCOc1ccc(C(CNC(=O)COc2ccccc2Cl)N2CCCC2)cc1.Cl
InChIInChI=1S/C21H25ClN2O3.ClH/c1-26-17-10-8-16(9-11-17)19(24-12-4-5-13-24)14-23-21(25)15-27-20-7-3-2-6-18(20)22;/h2-3,6-11,19H,4-5,12-15H2,1H3,(H,23,25);1H
InChIKeyKUINCUPEOVERNT-UHFFFAOYSA-N
XLogP4.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 18111378
2-(2-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 86976076
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-nitrophenoxy)acetamide
CID 42387340
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014391
N-[(2S)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 34953202
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 34954966
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride (CID 52984972) is 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride is COc1ccc(C(CNC(=O)COc2ccccc2Cl)N2CCCC2)cc1.Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?
The InChIKey is KUINCUPEOVERNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3.ClH/c1-26-17-10-8-16(9-11-17)19(24-12-4-5-13-24)14-23-21(25)15-27-20-7-3-2-6-18(20)22;/h2-3,6-11,19H,4-5,12-15H2,1H3,(H,23,25);1H.
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride has a molecular weight of 425.36 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride is sourced from PubChem (CID 52984972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).