2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide

C17H16FNO3 — CID 2621367

IUPAC2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO3/c1-12(20)14-4-8-16(9-5-14)22-11-17(21)19-10-13-2-6-15(18)7-3-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyMHLWGEYQHCZIDD-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.72
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide

2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2621367) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2621367
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO3/c1-12(20)14-4-8-16(9-5-14)22-11-17(21)19-10-13-2-6-15(18)7-3-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyMHLWGEYQHCZIDD-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide (CID 2621367) is 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is MHLWGEYQHCZIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-12(20)14-4-8-16(9-5-14)22-11-17(21)19-10-13-2-6-15(18)7-3-13/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide?
2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 301.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2621367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).