2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide

C18H20BrFN2O3S — CID 43077619

IUPAC2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C18H20BrFN2O3S/c1-3-22(11-17(23)21-10-14-5-4-8-26-14)18(24)12(2)25-16-7-6-13(20)9-15(16)19/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyQKFBLWXGUNQOCS-UHFFFAOYSA-N
MW443.34 g/mol
LogP3.58
Rot. Bonds8

About 2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide (PubChem CID 43077619) has the molecular formula C18H20BrFN2O3S and a molecular weight of 443.34 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide
PubChem CID43077619
Molecular FormulaC18H20BrFN2O3S
Molecular Weight443.34 g/mol
Exact Mass442.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)C(C)Oc1ccc(F)cc1Br
InChIInChI=1S/C18H20BrFN2O3S/c1-3-22(11-17(23)21-10-14-5-4-8-26-14)18(24)12(2)25-16-7-6-13(20)9-15(16)19/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyQKFBLWXGUNQOCS-UHFFFAOYSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,2-diphenylacetamide
CID 4782981
2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 86909514
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromo-4-fluorobenzoate
CID 8837401
2-(2-bromo-4-fluorophenoxy)-N-[(5-bromothiophen-2-yl)methyl]propanamide
CID 55690465
2-[ethyl-(2-naphthalen-1-yloxyacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 9014733
2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8960861
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
(E)-3-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide
CID 24979387
2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55838696

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide (CID 43077619) is 2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide is CCN(CC(=O)NCc1cccs1)C(=O)C(C)Oc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide?
The InChIKey is QKFBLWXGUNQOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O3S/c1-3-22(11-17(23)21-10-14-5-4-8-26-14)18(24)12(2)25-16-7-6-13(20)9-15(16)19/h4-9,12H,3,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide has a molecular weight of 443.34 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide is sourced from PubChem (CID 43077619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).