2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

C24H22FNO3 — CID 24683025

IUPAC2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22FNO3/c1-17(18-8-12-21(25)13-9-18)26(2)23(27)16-29-22-14-10-20(11-15-22)24(28)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3
InChIKeyDXDMEXGHLKLPIQ-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.66
Rot. Bonds7

About 2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 24683025) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID24683025
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22FNO3/c1-17(18-8-12-21(25)13-9-18)26(2)23(27)16-29-22-14-10-20(11-15-22)24(28)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3
InChIKeyDXDMEXGHLKLPIQ-UHFFFAOYSA-N
XLogP4.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 78824888
3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 122111906
2-(4-acetylphenoxy)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054389
methyl 2-[2-[[(1S)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethoxy]benzoate
CID 51928084
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
CID 86925373
4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 87018231
2-(4-benzoylphenoxy)-N-[(S)-cyano-(4-fluorophenyl)methyl]acetamide
CID 9246207
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-prop-2-enoxybenzoate
CID 55570576
2-[[2-(4-benzoylphenoxy)acetyl]-methylamino]acetamide
CID 56809046

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 24683025) is 2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is DXDMEXGHLKLPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c1-17(18-8-12-21(25)13-9-18)26(2)23(27)16-29-22-14-10-20(11-15-22)24(28)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3.
What are the key properties of 2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 391.44 g/mol, XLogP of 4.66, 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-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 24683025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).