[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate

C18H11F3N2O5 — CID 7804579

IUPAC[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESO=C(COC(=O)CN1C(=O)C(=O)c2ccccc21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H11F3N2O5/c19-10-5-6-11(16(21)15(10)20)22-13(24)8-28-14(25)7-23-12-4-2-1-3-9(12)17(26)18(23)27/h1-6H,7-8H2,(H,22,24)
InChIKeyNWPBIRZKILDXMB-UHFFFAOYSA-N
MW392.29 g/mol
LogP1.82
Rot. Bonds5

About [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 7804579) has the molecular formula C18H11F3N2O5 and a molecular weight of 392.29 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID7804579
Molecular FormulaC18H11F3N2O5
Molecular Weight392.29 g/mol
Exact Mass392.06
IUPAC Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESO=C(COC(=O)CN1C(=O)C(=O)c2ccccc21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H11F3N2O5/c19-10-5-6-11(16(21)15(10)20)22-13(24)8-28-14(25)7-23-12-4-2-1-3-9(12)17(26)18(23)27/h1-6H,7-8H2,(H,22,24)
InChIKeyNWPBIRZKILDXMB-UHFFFAOYSA-N
XLogP1.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804535
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 2276147
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804457
[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804539
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554656
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804356
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 2894299
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 16500646
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794003
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920117
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804609

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate (CID 7804579) is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate is O=C(COC(=O)CN1C(=O)C(=O)c2ccccc21)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is NWPBIRZKILDXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O5/c19-10-5-6-11(16(21)15(10)20)22-13(24)8-28-14(25)7-23-12-4-2-1-3-9(12)17(26)18(23)27/h1-6H,7-8H2,(H,22,24).
What are the key properties of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 392.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 7804579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).