2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C13H17BrClFN2O2 — CID 119512967

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Br)cc1F)NCC1CCCN1
InChIInChI=1S/C13H16BrFN2O2.ClH/c14-9-3-4-12(11(15)6-9)19-8-13(18)17-7-10-2-1-5-16-10;/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18);1H
InChIKeyFINWOEHLGTUJAI-UHFFFAOYSA-N
MW367.65 g/mol
LogP2.26
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119512967) has the molecular formula C13H17BrClFN2O2 and a molecular weight of 367.65 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119512967
Molecular FormulaC13H17BrClFN2O2
Molecular Weight367.65 g/mol
Exact Mass366.01
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(Br)cc1F)NCC1CCCN1
InChIInChI=1S/C13H16BrFN2O2.ClH/c14-9-3-4-12(11(15)6-9)19-8-13(18)17-7-10-2-1-5-16-10;/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18);1H
InChIKeyFINWOEHLGTUJAI-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.65
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
2-(4-bromo-2-fluorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005157
2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511064
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120601363
2-(2-ethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510399
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride
CID 119457993
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511055
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119512967) is 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(COc1ccc(Br)cc1F)NCC1CCCN1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is FINWOEHLGTUJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2.ClH/c14-9-3-4-12(11(15)6-9)19-8-13(18)17-7-10-2-1-5-16-10;/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18);1H.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 367.65 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119512967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).