4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide

C19H20FNO3 — CID 78769431

IUPAC4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2cc(C)ccc2F)cc1
InChIInChI=1S/C19H20FNO3/c1-13-5-10-17(20)18(12-13)21-19(23)4-3-11-24-16-8-6-15(7-9-16)14(2)22/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyVURPTIXFHHFERM-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.13
Rot. Bonds7

About 4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide

4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide (PubChem CID 78769431) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
PubChem CID78769431
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2cc(C)ccc2F)cc1
InChIInChI=1S/C19H20FNO3/c1-13-5-10-17(20)18(12-13)21-19(23)4-3-11-24-16-8-6-15(7-9-16)14(2)22/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyVURPTIXFHHFERM-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.13
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

3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 78886176
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 35344400
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 2547257

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide (CID 78769431) is 4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2cc(C)ccc2F)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide?
The InChIKey is VURPTIXFHHFERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13-5-10-17(20)18(12-13)21-19(23)4-3-11-24-16-8-6-15(7-9-16)14(2)22/h5-10,12H,3-4,11H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide?
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide has a molecular weight of 329.37 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide is sourced from PubChem (CID 78769431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).