[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate

C17H15Cl2NO3 — CID 8015070

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H15Cl2NO3/c1-2-11-6-8-12(9-7-11)17(22)23-10-15(21)20-14-5-3-4-13(18)16(14)19/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyJUPCYNSLOHDNTM-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.35
Rot. Bonds5

About [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate (PubChem CID 8015070) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
PubChem CID8015070
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H15Cl2NO3/c1-2-11-6-8-12(9-7-11)17(22)23-10-15(21)20-14-5-3-4-13(18)16(14)19/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyJUPCYNSLOHDNTM-UHFFFAOYSA-N
XLogP4.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate 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-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7939503
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603661
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316134
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-ethylbenzoate
CID 7775691
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781202
[2-(2-chloroanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753167
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55837261
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 725032
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578343
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 46793982

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate (CID 8015070) is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate?
The InChIKey is JUPCYNSLOHDNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-2-11-6-8-12(9-7-11)17(22)23-10-15(21)20-14-5-3-4-13(18)16(14)19/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate has a molecular weight of 352.22 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate is sourced from PubChem (CID 8015070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).