[1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate

C20H19Cl3N2O5 — CID 42969062

IUPAC[1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H19Cl3N2O5/c1-3-29-14-6-4-12(5-7-14)20(28)24-10-17(26)30-11(2)19(27)25-18-15(22)8-13(21)9-16(18)23/h4-9,11H,3,10H2,1-2H3,(H,24,28)(H,25,27)
InChIKeySQQOGACLTXLSTJ-UHFFFAOYSA-N
MW473.74 g/mol
LogP4.35
Rot. Bonds8

About [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate

[1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 42969062) has the molecular formula C20H19Cl3N2O5 and a molecular weight of 473.74 g/mol. Its IUPAC name is [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID42969062
Molecular FormulaC20H19Cl3N2O5
Molecular Weight473.74 g/mol
Exact Mass472.04
IUPAC Name[1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H19Cl3N2O5/c1-3-29-14-6-4-12(5-7-14)20(28)24-10-17(26)30-11(2)19(27)25-18-15(22)8-13(21)9-16(18)23/h4-9,11H,3,10H2,1-2H3,(H,24,28)(H,25,27)
InChIKeySQQOGACLTXLSTJ-UHFFFAOYSA-N
XLogP4.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.74
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]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

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884563
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320290
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8943779
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884711
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320179
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884811
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899514
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8749560
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751650
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884539
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 42969062) is [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OC(C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is SQQOGACLTXLSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N2O5/c1-3-29-14-6-4-12(5-7-14)20(28)24-10-17(26)30-11(2)19(27)25-18-15(22)8-13(21)9-16(18)23/h4-9,11H,3,10H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
[1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 473.74 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 42969062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).