2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide

C15H13BrFNO3 — CID 104704640

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-12-6-7-14(13(16)8-12)21-9-15(19)18-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyCAWDFZIZEIUUEL-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.61
Rot. Bonds5

About 2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide

2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 104704640) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
PubChem CID104704640
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-12-6-7-14(13(16)8-12)21-9-15(19)18-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyCAWDFZIZEIUUEL-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 7478739
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 54793221
2-(2-bromo-4-fluorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18077210
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide
CID 104706751
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-(5-bromo-2-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 107284225
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
dimethyl 5-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2627534
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 45371704
ethyl 4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzoate
CID 2627574
2-[2-bromo-4-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126368128

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide (CID 104704640) is 2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide is COc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is CAWDFZIZEIUUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-20-12-6-7-14(13(16)8-12)21-9-15(19)18-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide?
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide has a molecular weight of 354.18 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 104704640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).