2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide

C19H16BrFN2O2 — CID 39318329

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCCc1cccc2cccnc12
InChIInChI=1S/C19H16BrFN2O2/c20-15-6-7-17(16(21)11-15)25-12-18(24)22-10-8-14-4-1-3-13-5-2-9-23-19(13)14/h1-7,9,11H,8,10,12H2,(H,22,24)
InChIKeyPTZSYAFTRMXANJ-UHFFFAOYSA-N
MW403.25 g/mol
LogP3.87
Rot. Bonds6

About 2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 39318329) has the molecular formula C19H16BrFN2O2 and a molecular weight of 403.25 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID39318329
Molecular FormulaC19H16BrFN2O2
Molecular Weight403.25 g/mol
Exact Mass402.04
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCCc1cccc2cccnc12
InChIInChI=1S/C19H16BrFN2O2/c20-15-6-7-17(16(21)11-15)25-12-18(24)22-10-8-14-4-1-3-13-5-2-9-23-19(13)14/h1-7,9,11H,8,10,12H2,(H,22,24)
InChIKeyPTZSYAFTRMXANJ-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-(4-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149228
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-fluoro-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide
CID 18149345
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 2522815

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide (CID 39318329) is 2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide is O=C(COc1ccc(Br)cc1F)NCCc1cccc2cccnc12.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is PTZSYAFTRMXANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O2/c20-15-6-7-17(16(21)11-15)25-12-18(24)22-10-8-14-4-1-3-13-5-2-9-23-19(13)14/h1-7,9,11H,8,10,12H2,(H,22,24).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 403.25 g/mol, XLogP of 3.87, 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-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 39318329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).