[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate

C16H12Cl3NO3 — CID 7723787

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO3/c1-9-5-6-10(7-13(9)19)20-14(21)8-23-16(22)15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyGFXZEZQCRIZWBX-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.75
Rot. Bonds4

About [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 7723787) has the molecular formula C16H12Cl3NO3 and a molecular weight of 372.64 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID7723787
Molecular FormulaC16H12Cl3NO3
Molecular Weight372.64 g/mol
Exact Mass370.99
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO3/c1-9-5-6-10(7-13(9)19)20-14(21)8-23-16(22)15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyGFXZEZQCRIZWBX-UHFFFAOYSA-N
XLogP4.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate 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-(3-chloro-4-methylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235492
[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489040
[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723836
[2-(3-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723782
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 7634724
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671109
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2715202
4-O-[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7198709
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723823
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 35986859
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488916

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 7723787) is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate is Cc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is GFXZEZQCRIZWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO3/c1-9-5-6-10(7-13(9)19)20-14(21)8-23-16(22)15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 372.64 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 7723787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).