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

C16H13Cl2NO3 — CID 2715251

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c1-10-2-5-12(6-3-10)19-15(20)9-22-16(21)13-7-4-11(17)8-14(13)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyRJIRNOZHFIPKOO-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.10
Rot. Bonds4

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

[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate (PubChem CID 2715251) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
PubChem CID2715251
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c1-10-2-5-12(6-3-10)19-15(20)9-22-16(21)13-7-4-11(17)8-14(13)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyRJIRNOZHFIPKOO-UHFFFAOYSA-N
XLogP4.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863033
[2-(4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349809
[2-(4-methylsulfonylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 41174699
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862809
[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 95796841
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dichlorobenzoate
CID 7857974
[2-(4-methylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555000
[2-(4-acetamidoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864627
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2487559
[2-(4-acetamidoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615045
[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489040

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate (CID 2715251) is [2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate is Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate?
The InChIKey is RJIRNOZHFIPKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-10-2-5-12(6-3-10)19-15(20)9-22-16(21)13-7-4-11(17)8-14(13)18/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate?
[2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate has a molecular weight of 338.19 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 2715251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).