2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide

C11H13BrF2N2O2 — CID 54956526

IUPAC2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H13BrF2N2O2/c1-18-3-2-15-10(17)6-16-11-8(12)4-7(13)5-9(11)14/h4-5,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyVLZHIXNVGCLPGV-UHFFFAOYSA-N
MW323.14 g/mol
LogP1.90
Rot. Bonds6

About 2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide

2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 54956526) has the molecular formula C11H13BrF2N2O2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
PubChem CID54956526
Molecular FormulaC11H13BrF2N2O2
Molecular Weight323.14 g/mol
Exact Mass322.01
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H13BrF2N2O2/c1-18-3-2-15-10(17)6-16-11-8(12)4-7(13)5-9(11)14/h4-5,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyVLZHIXNVGCLPGV-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide
CID 86816004
2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide
CID 43168324
N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide
CID 107644367
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 113219434
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide
CID 113341656
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
2-(2,4-difluoro-6-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82915817

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide (CID 54956526) is 2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is VLZHIXNVGCLPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2/c1-18-3-2-15-10(17)6-16-11-8(12)4-7(13)5-9(11)14/h4-5,16H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide?
2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 323.14 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54956526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).