[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate

C15H10BrNO4 — CID 2453041

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C15H10BrNO4/c16-14-6-5-13(21-14)15(19)20-8-12(18)10-7-17-11-4-2-1-3-9(10)11/h1-7,17H,8H2
InChIKeyPLMCJPKFOFNJBO-UHFFFAOYSA-N
MW348.15 g/mol
LogP3.56
Rot. Bonds4

About [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 2453041) has the molecular formula C15H10BrNO4 and a molecular weight of 348.15 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID2453041
Molecular FormulaC15H10BrNO4
Molecular Weight348.15 g/mol
Exact Mass346.98
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C15H10BrNO4/c16-14-6-5-13(21-14)15(19)20-8-12(18)10-7-17-11-4-2-1-3-9(10)11/h1-7,17H,8H2
InChIKeyPLMCJPKFOFNJBO-UHFFFAOYSA-N
XLogP3.56
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
[2-(1H-indol-3-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 2689663
[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-difluorobenzoate
CID 4030553
[2-(1H-indol-3-yl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 3255141
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7899244
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 2689640
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate
CID 3384233
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methylbut-2-enoate
CID 5137843
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2453233
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 2453041) is [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate is O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Br)o1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is PLMCJPKFOFNJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO4/c16-14-6-5-13(21-14)15(19)20-8-12(18)10-7-17-11-4-2-1-3-9(10)11/h1-7,17H,8H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 348.15 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 2453041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).