2-(2-acetyl-4-fluorophenoxy)propanamide

C11H12FNO3 — CID 78906193

IUPAC2-(2-acetyl-4-fluorophenoxy)propanamide
SMILESCC(=O)c1cc(F)ccc1OC(C)C(N)=O
InChIInChI=1S/C11H12FNO3/c1-6(14)9-5-8(12)3-4-10(9)16-7(2)11(13)15/h3-5,7H,1-2H3,(H2,13,15)
InChIKeyJTBQBTZIFYHIBT-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.28
Rot. Bonds4

About 2-(2-acetyl-4-fluorophenoxy)propanamide

2-(2-acetyl-4-fluorophenoxy)propanamide (PubChem CID 78906193) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)propanamide
PubChem CID78906193
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-(2-acetyl-4-fluorophenoxy)propanamide
SMILESCC(=O)c1cc(F)ccc1OC(C)C(N)=O
InChIInChI=1S/C11H12FNO3/c1-6(14)9-5-8(12)3-4-10(9)16-7(2)11(13)15/h3-5,7H,1-2H3,(H2,13,15)
InChIKeyJTBQBTZIFYHIBT-UHFFFAOYSA-N
XLogP1.28
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenoxy)propanamide
CID 63269491
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63366141
1-[2-(1-ethoxypropan-2-yloxy)-5-fluorophenyl]ethanone
CID 103488735
(E)-3-[2-(1-amino-1-oxopropan-2-yl)oxy-5-fluorophenyl]prop-2-enoic acid
CID 107699649
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
ethyl 5-fluoro-2-propan-2-yloxybenzoate
CID 82551429
1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 131527772
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide
CID 55148420
2-(2,3-difluorophenoxy)propanamide
CID 63038540

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)propanamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)propanamide (CID 78906193) is 2-(2-acetyl-4-fluorophenoxy)propanamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)propanamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)propanamide is CC(=O)c1cc(F)ccc1OC(C)C(N)=O.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)propanamide?
The InChIKey is JTBQBTZIFYHIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-6(14)9-5-8(12)3-4-10(9)16-7(2)11(13)15/h3-5,7H,1-2H3,(H2,13,15).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)propanamide?
2-(2-acetyl-4-fluorophenoxy)propanamide has a molecular weight of 225.22 g/mol, XLogP of 1.28, 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-fluorophenoxy)propanamide is sourced from PubChem (CID 78906193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).