[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate

C19H16F3NO5 — CID 7903100

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H16F3NO5/c1-12(24)13-3-2-4-16(9-13)27-11-18(26)28-10-17(25)23-15-7-5-14(6-8-15)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,25)
InChIKeyIQOOHIDDSVEOIW-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.47
Rot. Bonds7

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 7903100) has the molecular formula C19H16F3NO5 and a molecular weight of 395.33 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
PubChem CID7903100
Molecular FormulaC19H16F3NO5
Molecular Weight395.33 g/mol
Exact Mass395.10
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H16F3NO5/c1-12(24)13-3-2-4-16(9-13)27-11-18(26)28-10-17(25)23-15-7-5-14(6-8-15)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,25)
InChIKeyIQOOHIDDSVEOIW-UHFFFAOYSA-N
XLogP3.47
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
CID 8915553
[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903034
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912726
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 4801122
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 18272340
[2-(4-acetylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504453
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate (CID 7903100) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is IQOOHIDDSVEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO5/c1-12(24)13-3-2-4-16(9-13)27-11-18(26)28-10-17(25)23-15-7-5-14(6-8-15)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,25).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 395.33 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 7903100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).