[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C18H18FNO3 — CID 2544721

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCCc1ccc(NC(=O)COC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO3/c1-2-13-7-9-15(10-8-13)20-17(21)12-23-18(22)11-14-5-3-4-6-16(14)19/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyRBDXHTWWFHBCAT-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.11
Rot. Bonds6

About [2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2544721) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2544721
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCCc1ccc(NC(=O)COC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO3/c1-2-13-7-9-15(10-8-13)20-17(21)12-23-18(22)11-14-5-3-4-6-16(14)19/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyRBDXHTWWFHBCAT-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7796353
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544790
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
[2-(4-ethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799264
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8958204
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 9485168
2-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 35364792
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 23825338

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2544721) is [2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is CCc1ccc(NC(=O)COC(=O)Cc2ccccc2F)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is RBDXHTWWFHBCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-2-13-7-9-15(10-8-13)20-17(21)12-23-18(22)11-14-5-3-4-6-16(14)19/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 315.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2544721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).