[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate

C20H10BrClN2O5 — CID 91174539

IUPAC[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
SMILESO=C(OC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H10BrClN2O5/c21-9-1-4-15-12(5-9)14(8-23-15)18(26)20(28)29-19(27)17(25)13-7-24-16-6-10(22)2-3-11(13)16/h1-8,23-24H
InChIKeyYSLUDDVDMSBVMF-UHFFFAOYSA-N
MW473.67 g/mol
LogP4.20
Rot. Bonds4

About [2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate

[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate (PubChem CID 91174539) has the molecular formula C20H10BrClN2O5 and a molecular weight of 473.67 g/mol. Its IUPAC name is [2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate.

Molecular Properties

Compound Name[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
PubChem CID91174539
Molecular FormulaC20H10BrClN2O5
Molecular Weight473.67 g/mol
Exact Mass471.95
IUPAC Name[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
SMILESO=C(OC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H10BrClN2O5/c21-9-1-4-15-12(5-9)14(8-23-15)18(26)20(28)29-19(27)17(25)13-7-24-16-6-10(22)2-3-11(13)16/h1-8,23-24H
InChIKeyYSLUDDVDMSBVMF-UHFFFAOYSA-N
XLogP4.20
TPSA109.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.67
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl (1R,3S)-2-[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 52949568
2-(1H-Indol-3-yl)-2-oxoethyl 4-chlorobenzoate
CID 217366
2-[5-bromo-1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 127045066
2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 11000034
methyl (2S)-6-chloro-2-(1H-indol-3-yl)-3-oxo-1H-indole-2-carboxylate
CID 168329198
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate
CID 7650673
(4-fluorophenyl)methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
CID 10595660
[2-(1H-indol-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 2689616
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 3937205
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4201325
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7664372
2-(4-Bromophenyl)-2-oxoethyl 1H-indol-3-ylacetate
CID 582543

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
The IUPAC name of [2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate (CID 91174539) is [2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate.
What is the SMILES notation for [2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
The canonical SMILES for [2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate is O=C(OC(=O)C(=O)c1c[nH]c2ccc(Br)cc12)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of [2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
The InChIKey is YSLUDDVDMSBVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10BrClN2O5/c21-9-1-4-15-12(5-9)14(8-23-15)18(26)20(28)29-19(27)17(25)13-7-24-16-6-10(22)2-3-11(13)16/h1-8,23-24H.
What are the key properties of [2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate has a molecular weight of 473.67 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl] 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate is sourced from PubChem (CID 91174539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).