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

C18H18ClNO3 — CID 8579246

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCCc1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-2-14-5-3-4-6-16(14)20-17(21)12-23-18(22)11-13-7-9-15(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyTZUOMJJBWONOAL-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.63
Rot. Bonds6

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

[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 8579246) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID8579246
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCCc1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-2-14-5-3-4-6-16(14)20-17(21)12-23-18(22)11-13-7-9-15(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyTZUOMJJBWONOAL-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate 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-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 1191215
[2-(2-ethylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840983
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750216
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 30390177
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
[2-(2-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2570002
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671815

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 8579246) is [2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is CCc1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is TZUOMJJBWONOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-2-14-5-3-4-6-16(14)20-17(21)12-23-18(22)11-13-7-9-15(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 331.80 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 8579246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).