2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide

C20H15BrFNO2S — CID 2109336

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(COc1ccc(F)cc1Br)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H15BrFNO2S/c21-16-12-14(22)10-11-18(16)25-13-20(24)23-17-8-4-5-9-19(17)26-15-6-2-1-3-7-15/h1-12H,13H2,(H,23,24)
InChIKeyWJZCLLUAFNLRBG-UHFFFAOYSA-N
MW432.31 g/mol
LogP5.76
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2109336) has the molecular formula C20H15BrFNO2S and a molecular weight of 432.31 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2109336
Molecular FormulaC20H15BrFNO2S
Molecular Weight432.31 g/mol
Exact Mass431.00
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(COc1ccc(F)cc1Br)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H15BrFNO2S/c21-16-12-14(22)10-11-18(16)25-13-20(24)23-17-8-4-5-9-19(17)26-15-6-2-1-3-7-15/h1-12H,13H2,(H,23,24)
InChIKeyWJZCLLUAFNLRBG-UHFFFAOYSA-N
XLogP5.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.31
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide (CID 2109336) is 2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide is O=C(COc1ccc(F)cc1Br)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is WJZCLLUAFNLRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFNO2S/c21-16-12-14(22)10-11-18(16)25-13-20(24)23-17-8-4-5-9-19(17)26-15-6-2-1-3-7-15/h1-12H,13H2,(H,23,24).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 432.31 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2109336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).