[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate

C17H11BrFNO4 — CID 9388030

IUPAC[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate
SMILESO=C1Cc2cc(C(=O)COC(=O)c3ccc(Br)cc3F)ccc2N1
InChIInChI=1S/C17H11BrFNO4/c18-11-2-3-12(13(19)7-11)17(23)24-8-15(21)9-1-4-14-10(5-9)6-16(22)20-14/h1-5,7H,6,8H2,(H,20,22)
InChIKeyVQVNICMABMEPEY-UHFFFAOYSA-N
MW392.18 g/mol
LogP3.12
Rot. Bonds4

About [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate

[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate (PubChem CID 9388030) has the molecular formula C17H11BrFNO4 and a molecular weight of 392.18 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate
PubChem CID9388030
Molecular FormulaC17H11BrFNO4
Molecular Weight392.18 g/mol
Exact Mass390.99
IUPAC Name[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate
SMILESO=C1Cc2cc(C(=O)COC(=O)c3ccc(Br)cc3F)ccc2N1
InChIInChI=1S/C17H11BrFNO4/c18-11-2-3-12(13(19)7-11)17(23)24-8-15(21)9-1-4-14-10(5-9)6-16(22)20-14/h1-5,7H,6,8H2,(H,20,22)
InChIKeyVQVNICMABMEPEY-UHFFFAOYSA-N
XLogP3.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 2,4-dichlorobenzoate
CID 9487869
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597204
5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43629644
[2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 55339020
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647151
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 9457909
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2,4-difluorobenzoate
CID 7951467
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671767
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate
CID 8753386
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
5-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9485245

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate (CID 9388030) is [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate is O=C1Cc2cc(C(=O)COC(=O)c3ccc(Br)cc3F)ccc2N1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate?
The InChIKey is VQVNICMABMEPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFNO4/c18-11-2-3-12(13(19)7-11)17(23)24-8-15(21)9-1-4-14-10(5-9)6-16(22)20-14/h1-5,7H,6,8H2,(H,20,22).
What are the key properties of [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate?
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate has a molecular weight of 392.18 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate is sourced from PubChem (CID 9388030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).