2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide

C17H18BrFN2O3 — CID 55981552

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOCCN(Cc1ccccn1)C(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C17H18BrFN2O3/c1-23-9-8-21(11-14-4-2-3-7-20-14)17(22)12-24-16-6-5-13(18)10-15(16)19/h2-7,10H,8-9,11-12H2,1H3
InChIKeyRSMYZEYDCYYKGC-UHFFFAOYSA-N
MW397.24 g/mol
LogP3.04
Rot. Bonds8

About 2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 55981552) has the molecular formula C17H18BrFN2O3 and a molecular weight of 397.24 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID55981552
Molecular FormulaC17H18BrFN2O3
Molecular Weight397.24 g/mol
Exact Mass396.05
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOCCN(Cc1ccccn1)C(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C17H18BrFN2O3/c1-23-9-8-21(11-14-4-2-3-7-20-14)17(22)12-24-16-6-5-13(18)10-15(16)19/h2-7,10H,8-9,11-12H2,1H3
InChIKeyRSMYZEYDCYYKGC-UHFFFAOYSA-N
XLogP3.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60528009
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 60955229
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902198
3-(tert-butylamino)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 60953797
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61074717
2-amino-N-[2-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 60954047
3-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61244876
2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide
CID 112777986

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide (CID 55981552) is 2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide is COCCN(Cc1ccccn1)C(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is RSMYZEYDCYYKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O3/c1-23-9-8-21(11-14-4-2-3-7-20-14)17(22)12-24-16-6-5-13(18)10-15(16)19/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 397.24 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 55981552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).