2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone

C18H15BrClNO3 — CID 121265469

IUPAC2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2c(C(=O)C(Br)c3ccc(Cl)cc3OC)c[nH]c2c1
InChIInChI=1S/C18H15BrClNO3/c1-23-11-4-6-12-14(9-21-15(12)8-11)18(22)17(19)13-5-3-10(20)7-16(13)24-2/h3-9,17,21H,1-2H3
InChIKeyRYLOYGSWWWATGM-UHFFFAOYSA-N
MW408.68 g/mol
LogP5.16
Rot. Bonds5

About 2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone

2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone (PubChem CID 121265469) has the molecular formula C18H15BrClNO3 and a molecular weight of 408.68 g/mol. Its IUPAC name is 2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone
PubChem CID121265469
Molecular FormulaC18H15BrClNO3
Molecular Weight408.68 g/mol
Exact Mass406.99
IUPAC Name2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2c(C(=O)C(Br)c3ccc(Cl)cc3OC)c[nH]c2c1
InChIInChI=1S/C18H15BrClNO3/c1-23-11-4-6-12-14(9-21-15(12)8-11)18(22)17(19)13-5-3-10(20)7-16(13)24-2/h3-9,17,21H,1-2H3
InChIKeyRYLOYGSWWWATGM-UHFFFAOYSA-N
XLogP5.16
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.68
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-(4-chloro-2-methoxyphenyl)-1-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-3-yl]ethanone
CID 131977555
2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)-2-(3-methoxy-5-methylsulfonylanilino)ethanone
CID 122689697
1-(6-chloro-1H-indol-3-yl)-2-(4-chloro-2-methoxyphenyl)-2-(3-ethoxy-5-methoxyanilino)ethanone
CID 145054302
2-bromo-2-(4-fluoro-2-methoxyphenyl)-1-(6-methoxy-5-methyl-1H-indol-3-yl)ethanone
CID 121254987
2-bromo-1-(6-ethoxy-5-methyl-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 131964288
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
(5-chloro-2-methoxyphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163494
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
2-(4-chloro-2-methoxyphenyl)-2-(3-ethylsulfonyl-5-methoxyanilino)-1-(5-fluoro-6-methoxy-1H-indol-3-yl)ethanone
CID 155082357
(3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
CID 177125861
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 126697668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone (CID 121265469) is 2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone is COc1ccc2c(C(=O)C(Br)c3ccc(Cl)cc3OC)c[nH]c2c1.
What is the InChIKey of 2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is RYLOYGSWWWATGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClNO3/c1-23-11-4-6-12-14(9-21-15(12)8-11)18(22)17(19)13-5-3-10(20)7-16(13)24-2/h3-9,17,21H,1-2H3.
What are the key properties of 2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone?
2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 408.68 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 121265469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).