ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate

C17H16Cl2N2O3 — CID 109011040

IUPACethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-2-24-17(23)11-3-5-14(6-4-11)21-16(22)10-20-15-8-12(18)7-13(19)9-15/h3-9,20H,2,10H2,1H3,(H,21,22)
InChIKeyQWPLYXAALDEANF-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.22
Rot. Bonds6

About ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate

ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate (PubChem CID 109011040) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
PubChem CID109011040
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Nameethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-2-24-17(23)11-3-5-14(6-4-11)21-16(22)10-20-15-8-12(18)7-13(19)9-15/h3-9,20H,2,10H2,1H3,(H,21,22)
InChIKeyQWPLYXAALDEANF-UHFFFAOYSA-N
XLogP4.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate 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

ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
CID 109009936
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353
ethyl 4-[[2-(2,3,4-trifluoroanilino)acetyl]amino]benzoate
CID 30717065
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
propyl 4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 54816569
ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate
CID 109007993
ethyl 4-(3,3-dimethylbutanoylamino)benzoate
CID 4629358
ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 113000796
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate (CID 109011040) is ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate?
The InChIKey is QWPLYXAALDEANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-2-24-17(23)11-3-5-14(6-4-11)21-16(22)10-20-15-8-12(18)7-13(19)9-15/h3-9,20H,2,10H2,1H3,(H,21,22).
What are the key properties of ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate?
ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate has a molecular weight of 367.23 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate is sourced from PubChem (CID 109011040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).