[2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate

C20H15FO3 — CID 7782971

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESO=C(Cc1cccc2ccccc12)OCC(=O)c1ccccc1F
InChIInChI=1S/C20H15FO3/c21-18-11-4-3-10-17(18)19(22)13-24-20(23)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2
InChIKeyWLFJDVFEOLYKBQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.95
Rot. Bonds5

About [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 7782971) has the molecular formula C20H15FO3 and a molecular weight of 322.34 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID7782971
Molecular FormulaC20H15FO3
Molecular Weight322.34 g/mol
Exact Mass322.10
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESO=C(Cc1cccc2ccccc12)OCC(=O)c1ccccc1F
InChIInChI=1S/C20H15FO3/c21-18-11-4-3-10-17(18)19(22)13-24-20(23)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2
InChIKeyWLFJDVFEOLYKBQ-UHFFFAOYSA-N
XLogP3.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate 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

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7603594
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7537155
[2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate
CID 7786661
[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789942
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 3399745
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 2089456
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-(2-fluorophenyl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 23879269
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2079261
[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23904314

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 7782971) is [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate is O=C(Cc1cccc2ccccc12)OCC(=O)c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is WLFJDVFEOLYKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FO3/c21-18-11-4-3-10-17(18)19(22)13-24-20(23)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2.
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 322.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 7782971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).