2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide

C13H16FNO3 — CID 55148420

IUPAC2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide
SMILESCC(=O)c1ccc(F)cc1OC(C)C(=O)N(C)C
InChIInChI=1S/C13H16FNO3/c1-8(16)11-6-5-10(14)7-12(11)18-9(2)13(17)15(3)4/h5-7,9H,1-4H3
InChIKeyAVMYTNQZWSOUOK-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.88
Rot. Bonds4

About 2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide

2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide (PubChem CID 55148420) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide
PubChem CID55148420
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide
SMILESCC(=O)c1ccc(F)cc1OC(C)C(=O)N(C)C
InChIInChI=1S/C13H16FNO3/c1-8(16)11-6-5-10(14)7-12(11)18-9(2)13(17)15(3)4/h5-7,9H,1-4H3
InChIKeyAVMYTNQZWSOUOK-UHFFFAOYSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide
CID 107696657
2-(2-acetyl-5-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 63067650
4-chloro-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61379027
2-(2-acetyl-4-fluorophenoxy)propanamide
CID 78906193
2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide
CID 116541587
2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide
CID 173339898
2-(2-acetyl-5-fluorophenoxy)butanenitrile
CID 63067645
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107014376
2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxy-4-fluorobenzoic acid
CID 107014270
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
CID 43143214

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide (CID 55148420) is 2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide is CC(=O)c1ccc(F)cc1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide?
The InChIKey is AVMYTNQZWSOUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8(16)11-6-5-10(14)7-12(11)18-9(2)13(17)15(3)4/h5-7,9H,1-4H3.
What are the key properties of 2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide?
2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide has a molecular weight of 253.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 55148420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).