2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide

C15H8Br2F3NO3 — CID 28913545

IUPAC2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=Cc1cc(Br)c(OCC(=O)Nc2ccc(F)c(F)c2F)c(Br)c1
InChIInChI=1S/C15H8Br2F3NO3/c16-8-3-7(5-22)4-9(17)15(8)24-6-12(23)21-11-2-1-10(18)13(19)14(11)20/h1-5H,6H2,(H,21,23)
InChIKeyBLXFCIGHHYZEMU-UHFFFAOYSA-N
MW467.04 g/mol
LogP4.46
Rot. Bonds5

About 2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide

2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 28913545) has the molecular formula C15H8Br2F3NO3 and a molecular weight of 467.04 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID28913545
Molecular FormulaC15H8Br2F3NO3
Molecular Weight467.04 g/mol
Exact Mass464.88
IUPAC Name2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=Cc1cc(Br)c(OCC(=O)Nc2ccc(F)c(F)c2F)c(Br)c1
InChIInChI=1S/C15H8Br2F3NO3/c16-8-3-7(5-22)4-9(17)15(8)24-6-12(23)21-11-2-1-10(18)13(19)14(11)20/h1-5H,6H2,(H,21,23)
InChIKeyBLXFCIGHHYZEMU-UHFFFAOYSA-N
XLogP4.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.04
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 126271360
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889
2-(2,6-dimethoxy-4-methylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2109337
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631644
2-(2,6-dibromo-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 107738387
2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913451
2-(3-chlorophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2633081
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 23935761
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-chlorophenyl)acetamide
CID 1284879
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 21211286
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide
CID 7893862

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide (CID 28913545) is 2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide is O=Cc1cc(Br)c(OCC(=O)Nc2ccc(F)c(F)c2F)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is BLXFCIGHHYZEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2F3NO3/c16-8-3-7(5-22)4-9(17)15(8)24-6-12(23)21-11-2-1-10(18)13(19)14(11)20/h1-5H,6H2,(H,21,23).
What are the key properties of 2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 467.04 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 28913545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).