[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C19H20FNO4 — CID 7842165

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)COc1ccccc1F
InChIInChI=1S/C19H20FNO4/c1-3-14-8-6-7-13(2)19(14)21-17(22)11-25-18(23)12-24-16-10-5-4-9-15(16)20/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyMSFIHCOFFWUHSA-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.26
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 7842165) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID7842165
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)COc1ccccc1F
InChIInChI=1S/C19H20FNO4/c1-3-14-8-6-7-13(2)19(14)21-17(22)11-25-18(23)12-24-16-10-5-4-9-15(16)20/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeyMSFIHCOFFWUHSA-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842401
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602
[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-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270127
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 7842165) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate is CCc1cccc(C)c1NC(=O)COC(=O)COc1ccccc1F.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is MSFIHCOFFWUHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-3-14-8-6-7-13(2)19(14)21-17(22)11-25-18(23)12-24-16-10-5-4-9-15(16)20/h4-10H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 345.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7842165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).