2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C15H21Cl2FN2O2 — CID 119529852

IUPAC2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccc(F)cc1Cl)C1CCNC1.Cl
InChIInChI=1S/C15H20ClFN2O2.ClH/c1-2-7-19(12-5-6-18-9-12)15(20)10-21-14-4-3-11(17)8-13(14)16;/h3-4,8,12,18H,2,5-7,9-10H2,1H3;1H
InChIKeyGFEKHSIZAOMJMY-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.88
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119529852) has the molecular formula C15H21Cl2FN2O2 and a molecular weight of 351.25 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119529852
Molecular FormulaC15H21Cl2FN2O2
Molecular Weight351.25 g/mol
Exact Mass350.10
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccc(F)cc1Cl)C1CCNC1.Cl
InChIInChI=1S/C15H20ClFN2O2.ClH/c1-2-7-19(12-5-6-18-9-12)15(20)10-21-14-4-3-11(17)8-13(14)16;/h3-4,8,12,18H,2,5-7,9-10H2,1H3;1H
InChIKeyGFEKHSIZAOMJMY-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119531944
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823009
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824866
N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119532019
2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530627

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119529852) is 2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CCCN(C(=O)COc1ccc(F)cc1Cl)C1CCNC1.Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is GFEKHSIZAOMJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2.ClH/c1-2-7-19(12-5-6-18-9-12)15(20)10-21-14-4-3-11(17)8-13(14)16;/h3-4,8,12,18H,2,5-7,9-10H2,1H3;1H.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 351.25 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119529852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).