[4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate

C20H16FNO5 — CID 7804513

IUPAC[4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESO=C(CN1C(=O)C(=O)c2ccccc21)OCCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H16FNO5/c21-14-9-7-13(8-10-14)17(23)6-3-11-27-18(24)12-22-16-5-2-1-4-15(16)19(25)20(22)26/h1-2,4-5,7-10H,3,6,11-12H2
InChIKeyDRJLEABPXRHZKO-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.56
Rot. Bonds7

About [4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate

[4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 7804513) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID7804513
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name[4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESO=C(CN1C(=O)C(=O)c2ccccc21)OCCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H16FNO5/c21-14-9-7-13(8-10-14)17(23)6-3-11-27-18(24)12-22-16-5-2-1-4-15(16)19(25)20(22)26/h1-2,4-5,7-10H,3,6,11-12H2
InChIKeyDRJLEABPXRHZKO-UHFFFAOYSA-N
XLogP2.56
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804310
[4-(4-fluorophenyl)-4-oxobutyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401131
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804306
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 8938877
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804354
tert-butyl 2-(2,3-dioxoindol-1-yl)acetate
CID 23517202
[2-(4-fluorophenyl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363316
ethyl 5-(2,3-dioxoindol-1-yl)-4-oxopentanoate
CID 103484663
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804579
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804268
3-(1,3-dioxoisoindol-2-yl)propyl 4-fluorobenzoate
CID 31981087
butyl 2-(5,6-difluoro-2,3-dioxoindol-1-yl)acetate
CID 80727781

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of [4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate (CID 7804513) is [4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for [4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for [4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate is O=C(CN1C(=O)C(=O)c2ccccc21)OCCCC(=O)c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is DRJLEABPXRHZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO5/c21-14-9-7-13(8-10-14)17(23)6-3-11-27-18(24)12-22-16-5-2-1-4-15(16)19(25)20(22)26/h1-2,4-5,7-10H,3,6,11-12H2.
What are the key properties of [4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate?
[4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 369.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-4-oxobutyl] 2-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 7804513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).