2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide

C15H20FNO3 — CID 107719421

IUPAC2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)NCC(C)C)cc1F
InChIInChI=1S/C15H20FNO3/c1-9(2)8-17-15(19)11(4)20-12-5-6-13(10(3)18)14(16)7-12/h5-7,9,11H,8H2,1-4H3,(H,17,19)
InChIKeyOFSYXTZSAKEJIU-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.57
Rot. Bonds6

About 2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide

2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 107719421) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide
PubChem CID107719421
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(=O)c1ccc(OC(C)C(=O)NCC(C)C)cc1F
InChIInChI=1S/C15H20FNO3/c1-9(2)8-17-15(19)11(4)20-12-5-6-13(10(3)18)14(16)7-12/h5-7,9,11H,8H2,1-4H3,(H,17,19)
InChIKeyOFSYXTZSAKEJIU-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetyl-3-fluorophenoxy)butan-2-one
CID 107717446
2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107675560
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-(4-ethylphenoxy)-N-(2-methylpropyl)propanamide
CID 60675159
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methylpropyl)propanamide
CID 8949326
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
4-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107014376
2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
CID 43086482
(3R)-3-(4-acetyl-3-fluorophenoxy)butanoic acid
CID 107714469
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 51097366

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide (CID 107719421) is 2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide is CC(=O)c1ccc(OC(C)C(=O)NCC(C)C)cc1F.
What is the InChIKey of 2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is OFSYXTZSAKEJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9(2)8-17-15(19)11(4)20-12-5-6-13(10(3)18)14(16)7-12/h5-7,9,11H,8H2,1-4H3,(H,17,19).
What are the key properties of 2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide?
2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 281.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 107719421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).