2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide

C14H17BrFNO3 — CID 75520372

IUPAC2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1c(F)cc(Br)cc1C(C)=O
InChIInChI=1S/C14H17BrFNO3/c1-4-17(5-2)13(19)8-20-14-11(9(3)18)6-10(15)7-12(14)16/h6-7H,4-5,8H2,1-3H3
InChIKeyXNEYXFREYLILRM-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.04
Rot. Bonds6

About 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide

2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide (PubChem CID 75520372) has the molecular formula C14H17BrFNO3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide
PubChem CID75520372
Molecular FormulaC14H17BrFNO3
Molecular Weight346.20 g/mol
Exact Mass345.04
IUPAC Name2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1c(F)cc(Br)cc1C(C)=O
InChIInChI=1S/C14H17BrFNO3/c1-4-17(5-2)13(19)8-20-14-11(9(3)18)6-10(15)7-12(14)16/h6-7H,4-5,8H2,1-3H3
InChIKeyXNEYXFREYLILRM-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
CID 86788128
1-(5-bromo-3-fluoro-2-propan-2-yloxyphenyl)ethanone
CID 83904296
[2-(diethylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 55338812
2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide
CID 43379393
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone
CID 84600427
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]acetic acid
CID 54900985
3,5-dibromo-4-[2-(diethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82913649
1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one
CID 75520371
2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide
CID 115962824
2-(4-bromo-2-fluorophenoxy)-N-(cyanomethyl)-N-ethylacetamide
CID 47082970
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide (CID 75520372) is 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1c(F)cc(Br)cc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide?
The InChIKey is XNEYXFREYLILRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO3/c1-4-17(5-2)13(19)8-20-14-11(9(3)18)6-10(15)7-12(14)16/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide?
2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide has a molecular weight of 346.20 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 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,N-diethylacetamide is sourced from PubChem (CID 75520372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).