[2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate

C20H22ClNO5 — CID 2434530

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate
SMILESCCOc1ccccc1OCCCC(=O)OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22ClNO5/c1-2-25-17-9-3-4-10-18(17)26-12-6-11-20(24)27-14-19(23)22-16-8-5-7-15(21)13-16/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,22,23)
InChIKeyASLAXTPPSUETLB-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.08
Rot. Bonds10

About [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate

[2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate (PubChem CID 2434530) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate
PubChem CID2434530
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate
SMILESCCOc1ccccc1OCCCC(=O)OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22ClNO5/c1-2-25-17-9-3-4-10-18(17)26-12-6-11-20(24)27-14-19(23)22-16-8-5-7-15(21)13-16/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,22,23)
InChIKeyASLAXTPPSUETLB-UHFFFAOYSA-N
XLogP4.08
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate 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

N-(2-chlorophenyl)-2-phenoxyacetamide
CID 309534
N-(4-chlorophenyl)-2-phenoxypropanamide
CID 3140491
N-(2,5-dichlorophenyl)-2-phenoxyacetamide
CID 795718
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2429777
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (3-chloro-phenyl)-amide
CID 3138277
N-(2-chlorophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 677548
N-(2-Chlorophenyl)-2-(4-methoxyphenoxy)acetamide
CID 580289
N-(3-chlorophenyl)-2-phenoxyacetamide
CID 309613
N-(4-chlorophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 677549
N-(2,4-dichlorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 725082
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)acetamide
CID 809053
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2085749

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate (CID 2434530) is [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate is CCOc1ccccc1OCCCC(=O)OCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate?
The InChIKey is ASLAXTPPSUETLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-2-25-17-9-3-4-10-18(17)26-12-6-11-20(24)27-14-19(23)22-16-8-5-7-15(21)13-16/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,22,23).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate?
[2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate has a molecular weight of 391.85 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate is sourced from PubChem (CID 2434530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).