1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole

C32H27BrCl4N2 — CID 165025513

IUPAC1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C.Cc1c(C)n(-c2cccc(Cl)c2Cl)c2ccccc12.Clc1cccc(Br)c1Cl
InChIInChI=1S/C16H13Cl2N.C10H11N.C6H3BrCl2/c1-10-11(2)19(14-8-4-3-6-12(10)14)15-9-5-7-13(17)16(15)18;1-7-8(2)11-10-6-4-3-5-9(7)10;7-4-2-1-3-5(8)6(4)9/h3-9H,1-2H3;3-6,11H,1-2H3;1-3H
InChIKeyLVBVEVYOZQEPOD-UHFFFAOYSA-N
MW661.30 g/mol
LogP12.09
Rot. Bonds1

About 1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole

1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole (PubChem CID 165025513) has the molecular formula C32H27BrCl4N2 and a molecular weight of 661.30 g/mol. Its IUPAC name is 1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole.

Molecular Properties

Compound Name1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole
PubChem CID165025513
Molecular FormulaC32H27BrCl4N2
Molecular Weight661.30 g/mol
Exact Mass658.01
IUPAC Name1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C.Cc1c(C)n(-c2cccc(Cl)c2Cl)c2ccccc12.Clc1cccc(Br)c1Cl
InChIInChI=1S/C16H13Cl2N.C10H11N.C6H3BrCl2/c1-10-11(2)19(14-8-4-3-6-12(10)14)15-9-5-7-13(17)16(15)18;1-7-8(2)11-10-6-4-3-5-9(7)10;7-4-2-1-3-5(8)6(4)9/h3-9H,1-2H3;3-6,11H,1-2H3;1-3H
InChIKeyLVBVEVYOZQEPOD-UHFFFAOYSA-N
XLogP12.09
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.30
LogP ≤ 512.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole?
The IUPAC name of 1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole (CID 165025513) is 1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole.
What is the SMILES notation for 1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole?
The canonical SMILES for 1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole is Cc1[nH]c2ccccc2c1C.Cc1c(C)n(-c2cccc(Cl)c2Cl)c2ccccc12.Clc1cccc(Br)c1Cl.
What is the InChIKey of 1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole?
The InChIKey is LVBVEVYOZQEPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N.C10H11N.C6H3BrCl2/c1-10-11(2)19(14-8-4-3-6-12(10)14)15-9-5-7-13(17)16(15)18;1-7-8(2)11-10-6-4-3-5-9(7)10;7-4-2-1-3-5(8)6(4)9/h3-9H,1-2H3;3-6,11H,1-2H3;1-3H.
What are the key properties of 1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole?
1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole has a molecular weight of 661.30 g/mol, XLogP of 12.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole is sourced from PubChem (CID 165025513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).