2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide

C15H10BrF2NO3 — CID 7820166

IUPAC2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
SMILESO=Cc1cc(Br)ccc1OCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H10BrF2NO3/c16-10-4-5-13(9(6-10)7-20)22-8-14(21)19-15-11(17)2-1-3-12(15)18/h1-7H,8H2,(H,19,21)
InChIKeyBZJZUPGYTZBEEF-UHFFFAOYSA-N
MW370.15 g/mol
LogP3.56
Rot. Bonds5

About 2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide

2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide (PubChem CID 7820166) has the molecular formula C15H10BrF2NO3 and a molecular weight of 370.15 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
PubChem CID7820166
Molecular FormulaC15H10BrF2NO3
Molecular Weight370.15 g/mol
Exact Mass368.98
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
SMILESO=Cc1cc(Br)ccc1OCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H10BrF2NO3/c16-10-4-5-13(9(6-10)7-20)22-8-14(21)19-15-11(17)2-1-3-12(15)18/h1-7H,8H2,(H,19,21)
InChIKeyBZJZUPGYTZBEEF-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-formylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7819961
2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 975229
2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7820278
N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide
CID 17202089
2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 17202094
2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide
CID 7820172
4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
CID 7820218
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide
CID 7819916
2-(4-bromo-2-formylphenoxy)-N-prop-2-ynylacetamide
CID 9006975
2-(4-bromo-2-formylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8862958

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide (CID 7820166) is 2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide is O=Cc1cc(Br)ccc1OCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is BZJZUPGYTZBEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO3/c16-10-4-5-13(9(6-10)7-20)22-8-14(21)19-15-11(17)2-1-3-12(15)18/h1-7H,8H2,(H,19,21).
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide?
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 370.15 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 7820166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).