4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide

C13H16FNO3 — CID 63891646

IUPAC4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1cc(F)ccc1C(C)=O
InChIInChI=1S/C13H16FNO3/c1-9(16)11-6-5-10(14)8-12(11)18-7-3-4-13(17)15-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyXENIIAZGCXIOCT-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.93
Rot. Bonds6

About 4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide

4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide (PubChem CID 63891646) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
PubChem CID63891646
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1cc(F)ccc1C(C)=O
InChIInChI=1S/C13H16FNO3/c1-9(16)11-6-5-10(14)8-12(11)18-7-3-4-13(17)15-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyXENIIAZGCXIOCT-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995
1-[2-(2-bromoethoxy)-4-fluorophenyl]ethanone
CID 63069077
4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide
CID 63891424
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide
CID 107700545
4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide
CID 82915136
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
4-methyl-2-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 63892228
4-fluoro-N-methyl-2-propoxybenzamide
CID 176894909
1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone
CID 65369860
4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide
CID 113386950
1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
CID 63774355

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide?
The IUPAC name of 4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide (CID 63891646) is 4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide.
What is the SMILES notation for 4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide?
The canonical SMILES for 4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide is CNC(=O)CCCOc1cc(F)ccc1C(C)=O.
What is the InChIKey of 4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide?
The InChIKey is XENIIAZGCXIOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9(16)11-6-5-10(14)8-12(11)18-7-3-4-13(17)15-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide?
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide has a molecular weight of 253.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide is sourced from PubChem (CID 63891646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).