2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide

C17H16FNO3 — CID 2454873

IUPAC2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2cc(F)ccc2C)c1
InChIInChI=1S/C17H16FNO3/c1-11-6-7-14(18)9-16(11)19-17(21)10-22-15-5-3-4-13(8-15)12(2)20/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyPWYLTIKDFZPAAN-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.35
Rot. Bonds5

About 2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide

2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 2454873) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID2454873
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2cc(F)ccc2C)c1
InChIInChI=1S/C17H16FNO3/c1-11-6-7-14(18)9-16(11)19-17(21)10-22-15-5-3-4-13(8-15)12(2)20/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyPWYLTIKDFZPAAN-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 42989700
2-(4-cyanophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 7961641
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
2-(2-acetamidophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2472167
2-(3-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964606
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515
2-(3-acetylphenoxy)-N-pyridin-2-ylacetamide
CID 82312002

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide (CID 2454873) is 2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide is CC(=O)c1cccc(OCC(=O)Nc2cc(F)ccc2C)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is PWYLTIKDFZPAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-11-6-7-14(18)9-16(11)19-17(21)10-22-15-5-3-4-13(8-15)12(2)20/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide?
2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 301.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 2454873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).