[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

C18H15BrN2O5 — CID 2412811

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C18H15BrN2O5/c1-10-17(11-4-2-3-5-12(11)21-10)13(22)9-25-16(23)8-20-18(24)14-6-7-15(19)26-14/h2-7,21H,8-9H2,1H3,(H,20,24)
InChIKeyGWBUPKCMVCRPCP-UHFFFAOYSA-N
MW419.23 g/mol
LogP2.99
Rot. Bonds6

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 2412811) has the molecular formula C18H15BrN2O5 and a molecular weight of 419.23 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID2412811
Molecular FormulaC18H15BrN2O5
Molecular Weight419.23 g/mol
Exact Mass418.02
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C18H15BrN2O5/c1-10-17(11-4-2-3-5-12(11)21-10)13(22)9-25-16(23)8-20-18(24)14-6-7-15(19)26-14/h2-7,21H,8-9H2,1H3,(H,20,24)
InChIKeyGWBUPKCMVCRPCP-UHFFFAOYSA-N
XLogP2.99
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate with MolForge

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Related Compounds

5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
CID 110794088
(5-bromofuran-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 43463185
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-phenylbutanoate
CID 47003724
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796030
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
CID 2689613
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2439471
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791394
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853705
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 7843521
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7884019
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883962

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 2412811) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is GWBUPKCMVCRPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O5/c1-10-17(11-4-2-3-5-12(11)21-10)13(22)9-25-16(23)8-20-18(24)14-6-7-15(19)26-14/h2-7,21H,8-9H2,1H3,(H,20,24).
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 419.23 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 2412811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).