2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide

C21H24FNO4 — CID 55467454

IUPAC2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C(C)=O)c(OCC(=O)NC(c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C21H24FNO4/c1-13(2)21(15-5-7-16(22)8-6-15)23-20(25)12-27-19-11-17(26-4)9-10-18(19)14(3)24/h5-11,13,21H,12H2,1-4H3,(H,23,25)
InChIKeyQKCIVHZUYBHETK-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.93
Rot. Bonds8

About 2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide

2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (PubChem CID 55467454) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
PubChem CID55467454
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C(C)=O)c(OCC(=O)NC(c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C21H24FNO4/c1-13(2)21(15-5-7-16(22)8-6-15)23-20(25)12-27-19-11-17(26-4)9-10-18(19)14(3)24/h5-11,13,21H,12H2,1-4H3,(H,23,25)
InChIKeyQKCIVHZUYBHETK-UHFFFAOYSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
2-(2-acetyl-5-methoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2709111
2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 7688307
2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048719
2-(4-methoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050798
2-(2-methoxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51213896
2-(4-cyano-2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51266936
2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824
2-(2-bromo-4-fluorophenoxy)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 18228064
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
2-(2-acetyl-4-methoxyphenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18077065

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (CID 55467454) is 2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide is COc1ccc(C(C)=O)c(OCC(=O)NC(c2ccc(F)cc2)C(C)C)c1.
What is the InChIKey of 2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is QKCIVHZUYBHETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-13(2)21(15-5-7-16(22)8-6-15)23-20(25)12-27-19-11-17(26-4)9-10-18(19)14(3)24/h5-11,13,21H,12H2,1-4H3,(H,23,25).
What are the key properties of 2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide?
2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 55467454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).