[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate

C17H15Cl2NO3 — CID 7863033

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO3/c1-2-11-3-6-13(7-4-11)20-16(21)10-23-17(22)14-8-5-12(18)9-15(14)19/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyCECPPMDEWIJGQH-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.35
Rot. Bonds5

About [2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate

[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate (PubChem CID 7863033) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
PubChem CID7863033
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO3/c1-2-11-3-6-13(7-4-11)20-16(21)10-23-17(22)14-8-5-12(18)9-15(14)19/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyCECPPMDEWIJGQH-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

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 2715251
[2-(4-ethylanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472473
[2-(4-methylsulfonylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 41174699
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dichlorobenzoate
CID 7857974
[2-(4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349809
[2-(4-acetamidoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864627
[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611776
[2-(4-ethylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887494
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014
[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570281
[2-(3-ethylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2513141
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2407772

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate (CID 7863033) is [2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate is CCc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate?
The InChIKey is CECPPMDEWIJGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-2-11-3-6-13(7-4-11)20-16(21)10-23-17(22)14-8-5-12(18)9-15(14)19/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate?
[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate 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-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 7863033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).