N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride

C15H22ClFN2O2 — CID 119695325

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCN(CCOc1ccc(F)cc1)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-18(15(19)11-13-3-2-8-17-13)9-10-20-14-6-4-12(16)5-7-14;/h4-7,13,17H,2-3,8-11H2,1H3;1H
InChIKeyURDNLLMQLFAFSL-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.23
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119695325) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119695325
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCN(CCOc1ccc(F)cc1)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-18(15(19)11-13-3-2-8-17-13)9-10-20-14-6-4-12(16)5-7-14;/h4-7,13,17H,2-3,8-11H2,1H3;1H
InChIKeyURDNLLMQLFAFSL-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119695313
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119739747
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119813303
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776524
N-(2-ethoxyethyl)-N-methyl-2-piperidin-2-ylacetamide
CID 81055314
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 97109015
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119695325) is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride is CN(CCOc1ccc(F)cc1)C(=O)CC1CCCN1.Cl.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is URDNLLMQLFAFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2.ClH/c1-18(15(19)11-13-3-2-8-17-13)9-10-20-14-6-4-12(16)5-7-14;/h4-7,13,17H,2-3,8-11H2,1H3;1H.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119695325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).