2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide

C11H11BrFNO3 — CID 84600633

IUPAC2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide
SMILESCNC(=O)COc1c(F)cc(Br)cc1C(C)=O
InChIInChI=1S/C11H11BrFNO3/c1-6(15)8-3-7(12)4-9(13)11(8)17-5-10(16)14-2/h3-4H,5H2,1-2H3,(H,14,16)
InChIKeyYVVRSUNAPKNMFR-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.92
Rot. Bonds4

About 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide

2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide (PubChem CID 84600633) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide
PubChem CID84600633
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Name2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide
SMILESCNC(=O)COc1c(F)cc(Br)cc1C(C)=O
InChIInChI=1S/C11H11BrFNO3/c1-6(15)8-3-7(12)4-9(13)11(8)17-5-10(16)14-2/h3-4H,5H2,1-2H3,(H,14,16)
InChIKeyYVVRSUNAPKNMFR-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide?
The IUPAC name of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide (CID 84600633) is 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide?
The canonical SMILES for 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide is CNC(=O)COc1c(F)cc(Br)cc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide?
The InChIKey is YVVRSUNAPKNMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c1-6(15)8-3-7(12)4-9(13)11(8)17-5-10(16)14-2/h3-4H,5H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide?
2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide has a molecular weight of 304.12 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-methylacetamide is sourced from PubChem (CID 84600633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).