[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate

C19H20FNO4 — CID 7842401

IUPAC[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate
SMILESCc1cc(C)c(NC(=O)COC(=O)COc2ccccc2F)c(C)c1
InChIInChI=1S/C19H20FNO4/c1-12-8-13(2)19(14(3)9-12)21-17(22)10-25-18(23)11-24-16-7-5-4-6-15(16)20/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyTXCJERWOYBXHFP-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.31
Rot. Bonds6

About [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 7842401) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate
PubChem CID7842401
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate
SMILESCc1cc(C)c(NC(=O)COC(=O)COc2ccccc2F)c(C)c1
InChIInChI=1S/C19H20FNO4/c1-12-8-13(2)19(14(3)9-12)21-17(22)10-25-18(23)11-24-16-7-5-4-6-15(16)20/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyTXCJERWOYBXHFP-UHFFFAOYSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982127
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842165
2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478596
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272263
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842445
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842438
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814259
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555443
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524265
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate (CID 7842401) is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate is Cc1cc(C)c(NC(=O)COC(=O)COc2ccccc2F)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is TXCJERWOYBXHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-12-8-13(2)19(14(3)9-12)21-17(22)10-25-18(23)11-24-16-7-5-4-6-15(16)20/h4-9H,10-11H2,1-3H3,(H,21,22).
What are the key properties of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate?
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 345.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7842401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).