2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide

C17H13BrF2N2O2 — CID 2439242

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
SMILESN#CCCN(C(=O)COc1ccc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C17H13BrF2N2O2/c18-13-10-12(19)6-7-16(13)24-11-17(23)22(9-3-8-21)15-5-2-1-4-14(15)20/h1-2,4-7,10H,3,9,11H2
InChIKeyJKHOESBIJYUUFU-UHFFFAOYSA-N
MW395.20 g/mol
LogP4.05
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide (PubChem CID 2439242) has the molecular formula C17H13BrF2N2O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
PubChem CID2439242
Molecular FormulaC17H13BrF2N2O2
Molecular Weight395.20 g/mol
Exact Mass394.01
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
SMILESN#CCCN(C(=O)COc1ccc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C17H13BrF2N2O2/c18-13-10-12(19)6-7-16(13)24-11-17(23)22(9-3-8-21)15-5-2-1-4-14(15)20/h1-2,4-7,10H,3,9,11H2
InChIKeyJKHOESBIJYUUFU-UHFFFAOYSA-N
XLogP4.05
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide (CID 2439242) is 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide is N#CCCN(C(=O)COc1ccc(F)cc1Br)c1ccccc1F.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
The InChIKey is JKHOESBIJYUUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2O2/c18-13-10-12(19)6-7-16(13)24-11-17(23)22(9-3-8-21)15-5-2-1-4-14(15)20/h1-2,4-7,10H,3,9,11H2.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide has a molecular weight of 395.20 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2439242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).