[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate

C19H20FNO3 — CID 9230111

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C19H20FNO3/c1-2-14-7-9-16(10-8-14)19(23)24-13-18(22)21-12-11-15-5-3-4-6-17(15)20/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyYJEQNLVHERMFNT-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.90
Rot. Bonds7

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate (PubChem CID 9230111) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
PubChem CID9230111
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C19H20FNO3/c1-2-14-7-9-16(10-8-14)19(23)24-13-18(22)21-12-11-15-5-3-4-6-17(15)20/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyYJEQNLVHERMFNT-UHFFFAOYSA-N
XLogP2.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate 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-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230095
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290698
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009523
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 9198596
3-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024693
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8633296
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646371
[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
CID 71820618
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8625292
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008807
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581743

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate (CID 9230111) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
The InChIKey is YJEQNLVHERMFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-2-14-7-9-16(10-8-14)19(23)24-13-18(22)21-12-11-15-5-3-4-6-17(15)20/h3-10H,2,11-13H2,1H3,(H,21,22).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate has a molecular weight of 329.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate is sourced from PubChem (CID 9230111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).