methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate

C16H12Cl3NO4 — CID 7667580

IUPACmethyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H12Cl3NO4/c1-23-16(22)9-2-4-11(5-3-9)24-8-14(21)20-15-12(18)6-10(17)7-13(15)19/h2-7H,8H2,1H3,(H,20,21)
InChIKeyCCQFXTXBERLMSC-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.45
Rot. Bonds5

About methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate

methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate (PubChem CID 7667580) has the molecular formula C16H12Cl3NO4 and a molecular weight of 388.63 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate
PubChem CID7667580
Molecular FormulaC16H12Cl3NO4
Molecular Weight388.63 g/mol
Exact Mass386.98
IUPAC Namemethyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H12Cl3NO4/c1-23-16(22)9-2-4-11(5-3-9)24-8-14(21)20-15-12(18)6-10(17)7-13(15)19/h2-7H,8H2,1H3,(H,20,21)
InChIKeyCCQFXTXBERLMSC-UHFFFAOYSA-N
XLogP4.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 61027526
methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965600
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 4-hydroxybenzoate
CID 2624996
N-(2-amino-4,6-dichlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 29033166
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
CID 2495618
methyl 4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 1037884
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
2-(2-ethoxyphenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 7613010
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] pyridine-4-carboxylate
CID 2347807
methyl 4-chloro-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 8910012
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate?
The IUPAC name of methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate (CID 7667580) is methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate is COC(=O)c1ccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate?
The InChIKey is CCQFXTXBERLMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO4/c1-23-16(22)9-2-4-11(5-3-9)24-8-14(21)20-15-12(18)6-10(17)7-13(15)19/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate?
methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate has a molecular weight of 388.63 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate is sourced from PubChem (CID 7667580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).