2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone

C24H24FNO4 — CID 4782450

IUPAC2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCOCc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(-c2ccccc2F)c1C
InChIInChI=1S/C24H24FNO4/c1-15-11-20(16(2)26(15)22-8-6-5-7-21(22)25)23(28)14-30-24-10-9-18(17(3)27)12-19(24)13-29-4/h5-12H,13-14H2,1-4H3
InChIKeyUZHIZGPOVAMTAV-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.84
Rot. Bonds8

About 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone

2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone (PubChem CID 4782450) has the molecular formula C24H24FNO4 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
PubChem CID4782450
Molecular FormulaC24H24FNO4
Molecular Weight409.46 g/mol
Exact Mass409.17
IUPAC Name2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCOCc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(-c2ccccc2F)c1C
InChIInChI=1S/C24H24FNO4/c1-15-11-20(16(2)26(15)22-8-6-5-7-21(22)25)23(28)14-30-24-10-9-18(17(3)27)12-19(24)13-29-4/h5-12H,13-14H2,1-4H3
InChIKeyUZHIZGPOVAMTAV-UHFFFAOYSA-N
XLogP4.84
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[3-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 7892038
2-(3-acetylpyridin-1-ium-1-yl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 8830737
2-(4-acetyl-2-methoxyphenoxy)-1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]ethanone
CID 18270260
2-(4-acetyl-2-methoxyphenoxy)-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone
CID 55325776
[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 16509809
methyl 4-[3-[2-(4-acetylphenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 26218022
2-(2,3-difluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63037476
2-(2,3-dimethoxyphenoxy)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 110656344
2-(2,3-dimethoxyphenoxy)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 110656323
N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 55543848
1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one
CID 123307506
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046

Frequently Asked Questions

What is the IUPAC name of 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The IUPAC name of 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone (CID 4782450) is 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone.
What is the SMILES notation for 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The canonical SMILES for 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone is COCc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(-c2ccccc2F)c1C.
What is the InChIKey of 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The InChIKey is UZHIZGPOVAMTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO4/c1-15-11-20(16(2)26(15)22-8-6-5-7-21(22)25)23(28)14-30-24-10-9-18(17(3)27)12-19(24)13-29-4/h5-12H,13-14H2,1-4H3.
What are the key properties of 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone has a molecular weight of 409.46 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-acetyl-2-(methoxymethyl)phenoxy]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone is sourced from PubChem (CID 4782450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).