2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide

C16H14BrClFNO4 — CID 16602981

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(Cl)c(NC(=O)COc2ccc(F)cc2Br)cc1OC
InChIInChI=1S/C16H14BrClFNO4/c1-22-14-6-11(18)12(7-15(14)23-2)20-16(21)8-24-13-4-3-9(19)5-10(13)17/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyDWECEHOJJBPNAT-UHFFFAOYSA-N
MW418.65 g/mol
LogP4.28
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide (PubChem CID 16602981) has the molecular formula C16H14BrClFNO4 and a molecular weight of 418.65 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
PubChem CID16602981
Molecular FormulaC16H14BrClFNO4
Molecular Weight418.65 g/mol
Exact Mass416.98
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(Cl)c(NC(=O)COc2ccc(F)cc2Br)cc1OC
InChIInChI=1S/C16H14BrClFNO4/c1-22-14-6-11(18)12(7-15(14)23-2)20-16(21)8-24-13-4-3-9(19)5-10(13)17/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyDWECEHOJJBPNAT-UHFFFAOYSA-N
XLogP4.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.65
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 40604024
2-(2-bromo-4-fluorophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7899911
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
2-(2-bromo-4-fluorophenoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 7478739
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 24685752
N-(5-amino-2-fluorophenyl)-2-(2-bromo-4-fluorophenoxy)acetamide
CID 29040391
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
N-(2-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26692807
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
dimethyl 5-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2627534
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640
2-(2,4-dibromophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2632796

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide (CID 16602981) is 2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide is COc1cc(Cl)c(NC(=O)COc2ccc(F)cc2Br)cc1OC.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide?
The InChIKey is DWECEHOJJBPNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO4/c1-22-14-6-11(18)12(7-15(14)23-2)20-16(21)8-24-13-4-3-9(19)5-10(13)17/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide has a molecular weight of 418.65 g/mol, XLogP of 4.28, 6 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-(2-chloro-4,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 16602981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).