2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone

C16H10BrCl2NO — CID 103427819

IUPAC2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C16H10BrCl2NO/c17-10-3-1-9(2-4-10)5-15(21)12-8-20-14-7-11(18)6-13(19)16(12)14/h1-4,6-8,20H,5H2
InChIKeyDGNJTUIDNNOLHK-UHFFFAOYSA-N
MW383.07 g/mol
LogP5.66
Rot. Bonds3

About 2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone

2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone (PubChem CID 103427819) has the molecular formula C16H10BrCl2NO and a molecular weight of 383.07 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone
PubChem CID103427819
Molecular FormulaC16H10BrCl2NO
Molecular Weight383.07 g/mol
Exact Mass380.93
IUPAC Name2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C16H10BrCl2NO/c17-10-3-1-9(2-4-10)5-15(21)12-8-20-14-7-11(18)6-13(19)16(12)14/h1-4,6-8,20H,5H2
InChIKeyDGNJTUIDNNOLHK-UHFFFAOYSA-N
XLogP5.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.07
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
3-[2-(4-bromophenyl)acetyl]-1H-indole-4-carbonitrile
CID 107918738
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
CID 82771447
(4,6-dichloro-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 103427771
(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
CID 103427836
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427940
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone (CID 103427819) is 2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone is O=C(Cc1ccc(Br)cc1)c1c[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of 2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone?
The InChIKey is DGNJTUIDNNOLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2NO/c17-10-3-1-9(2-4-10)5-15(21)12-8-20-14-7-11(18)6-13(19)16(12)14/h1-4,6-8,20H,5H2.
What are the key properties of 2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone?
2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone has a molecular weight of 383.07 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 103427819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).