methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate

C18H18ClNO4 — CID 7764012

IUPACmethyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C18H18ClNO4/c1-11-8-12(2)17(14(19)9-11)20-16(21)10-24-15-7-5-4-6-13(15)18(22)23-3/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeySZGRQZIYGSMVEU-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.76
Rot. Bonds5

About methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate

methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate (PubChem CID 7764012) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate
PubChem CID7764012
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Namemethyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C18H18ClNO4/c1-11-8-12(2)17(14(19)9-11)20-16(21)10-24-15-7-5-4-6-13(15)18(22)23-3/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeySZGRQZIYGSMVEU-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-4-fluorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 112774554
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 3966844
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
N-(4-amino-2-chloro-6-methylphenyl)-2-(2-chlorophenoxy)acetamide
CID 100828371
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 19202727
N-(2-chloro-4,6-dimethylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716287
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025421
2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 112828409
N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
CID 24607292
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814259

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate (CID 7764012) is methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate is COC(=O)c1ccccc1OCC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate?
The InChIKey is SZGRQZIYGSMVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-11-8-12(2)17(14(19)9-11)20-16(21)10-24-15-7-5-4-6-13(15)18(22)23-3/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate?
methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate has a molecular weight of 347.80 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7764012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).