[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate

C18H17Cl2NO5 — CID 2518276

IUPAC[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1
InChIInChI=1S/C18H17Cl2NO5/c1-10-4-5-14(19)17(16(10)20)21-15(22)9-26-18(23)11-6-12(24-2)8-13(7-11)25-3/h4-8H,9H2,1-3H3,(H,21,22)
InChIKeyGZHYBFNESVTOFC-UHFFFAOYSA-N
MW398.24 g/mol
LogP4.11
Rot. Bonds6

About [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate (PubChem CID 2518276) has the molecular formula C18H17Cl2NO5 and a molecular weight of 398.24 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
PubChem CID2518276
Molecular FormulaC18H17Cl2NO5
Molecular Weight398.24 g/mol
Exact Mass397.05
IUPAC Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1
InChIInChI=1S/C18H17Cl2NO5/c1-10-4-5-14(19)17(16(10)20)21-15(22)9-26-18(23)11-6-12(24-2)8-13(7-11)25-3/h4-8H,9H2,1-3H3,(H,21,22)
InChIKeyGZHYBFNESVTOFC-UHFFFAOYSA-N
XLogP4.11
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate 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-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507950
3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
CID 81093926
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503695
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518301
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766617
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8534727
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2349915
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791670
[2-(4-tert-butylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8528824
[2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate
CID 2516393

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate (CID 2518276) is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate?
The InChIKey is GZHYBFNESVTOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5/c1-10-4-5-14(19)17(16(10)20)21-15(22)9-26-18(23)11-6-12(24-2)8-13(7-11)25-3/h4-8H,9H2,1-3H3,(H,21,22).
What are the key properties of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate?
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate has a molecular weight of 398.24 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 2518276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).