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

C15H21BrClFN2O2 — CID 119531944

IUPAC2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccc(Br)cc1F)C1CCNC1.Cl
InChIInChI=1S/C15H20BrFN2O2.ClH/c1-2-7-19(12-5-6-18-9-12)15(20)10-21-14-4-3-11(16)8-13(14)17;/h3-4,8,12,18H,2,5-7,9-10H2,1H3;1H
InChIKeyHXVPNRUESQEIAG-UHFFFAOYSA-N
MW395.70 g/mol
LogP2.99
Rot. Bonds6

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

2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119531944) has the molecular formula C15H21BrClFN2O2 and a molecular weight of 395.70 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119531944
Molecular FormulaC15H21BrClFN2O2
Molecular Weight395.70 g/mol
Exact Mass394.05
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccc(Br)cc1F)C1CCNC1.Cl
InChIInChI=1S/C15H20BrFN2O2.ClH/c1-2-7-19(12-5-6-18-9-12)15(20)10-21-14-4-3-11(16)8-13(14)17;/h3-4,8,12,18H,2,5-7,9-10H2,1H3;1H
InChIKeyHXVPNRUESQEIAG-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.70
LogP ≤ 52.99
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-(4-bromo-2-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553015
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823009
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
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
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824866
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119531944) is 2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CCCN(C(=O)COc1ccc(Br)cc1F)C1CCNC1.Cl.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is HXVPNRUESQEIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2.ClH/c1-2-7-19(12-5-6-18-9-12)15(20)10-21-14-4-3-11(16)8-13(14)17;/h3-4,8,12,18H,2,5-7,9-10H2,1H3;1H.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 395.70 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119531944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).