2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C23H20FNO3 — CID 4788970

IUPAC2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20FNO3/c1-25(15-19-9-5-6-10-21(19)24)22(26)16-28-20-13-11-18(12-14-20)23(27)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyPDQKZQFZOFJMMI-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.09
Rot. Bonds7

About 2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 4788970) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID4788970
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20FNO3/c1-25(15-19-9-5-6-10-21(19)24)22(26)16-28-20-13-11-18(12-14-20)23(27)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyPDQKZQFZOFJMMI-UHFFFAOYSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 4788970) is 2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is PDQKZQFZOFJMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c1-25(15-19-9-5-6-10-21(19)24)22(26)16-28-20-13-11-18(12-14-20)23(27)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3.
What are the key properties of 2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 377.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 4788970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).