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

C15H8BrCl2NO — CID 103427878

IUPAC(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C15H8BrCl2NO/c16-9-3-1-8(2-4-9)15(20)11-7-19-13-6-10(17)5-12(18)14(11)13/h1-7,19H
InChIKeyHUTSVROQPROARM-UHFFFAOYSA-N
MW369.05 g/mol
LogP5.47
Rot. Bonds2

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

(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone (PubChem CID 103427878) has the molecular formula C15H8BrCl2NO and a molecular weight of 369.05 g/mol. Its IUPAC name is (4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
PubChem CID103427878
Molecular FormulaC15H8BrCl2NO
Molecular Weight369.05 g/mol
Exact Mass366.92
IUPAC Name(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C15H8BrCl2NO/c16-9-3-1-8(2-4-9)15(20)11-7-19-13-6-10(17)5-12(18)14(11)13/h1-7,19H
InChIKeyHUTSVROQPROARM-UHFFFAOYSA-N
XLogP5.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.05
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
CID 103427836
2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone
CID 103427819
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
(4,6-dichloro-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 103427771
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427940
(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 107998363
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The IUPAC name of (4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone (CID 103427878) is (4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone is O=C(c1ccc(Br)cc1)c1c[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of (4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
The InChIKey is HUTSVROQPROARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NO/c16-9-3-1-8(2-4-9)15(20)11-7-19-13-6-10(17)5-12(18)14(11)13/h1-7,19H.
What are the key properties of (4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone?
(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone has a molecular weight of 369.05 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103427878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).