(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone

C16H11Br2NO — CID 107949775

IUPAC(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
SMILESCc1cccc2[nH]cc(C(=O)c3ccc(Br)cc3Br)c12
InChIInChI=1S/C16H11Br2NO/c1-9-3-2-4-14-15(9)12(8-19-14)16(20)11-6-5-10(17)7-13(11)18/h2-8,19H,1H3
InChIKeySWZQLJUFCBYMCW-UHFFFAOYSA-N
MW393.08 g/mol
LogP5.23
Rot. Bonds2

About (2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone

(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone (PubChem CID 107949775) has the molecular formula C16H11Br2NO and a molecular weight of 393.08 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
PubChem CID107949775
Molecular FormulaC16H11Br2NO
Molecular Weight393.08 g/mol
Exact Mass390.92
IUPAC Name(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
SMILESCc1cccc2[nH]cc(C(=O)c3ccc(Br)cc3Br)c12
InChIInChI=1S/C16H11Br2NO/c1-9-3-2-4-14-15(9)12(8-19-14)16(20)11-6-5-10(17)7-13(11)18/h2-8,19H,1H3
InChIKeySWZQLJUFCBYMCW-UHFFFAOYSA-N
XLogP5.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.08
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678
(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43341896
(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
CID 115351639
(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
CID 107981685
3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile
CID 107918686
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
CID 107949887
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 43341913
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
4-methyl-3-prop-1-en-2-yl-1H-indole
CID 143884090

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone (CID 107949775) is (2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone is Cc1cccc2[nH]cc(C(=O)c3ccc(Br)cc3Br)c12.
What is the InChIKey of (2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone?
The InChIKey is SWZQLJUFCBYMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO/c1-9-3-2-4-14-15(9)12(8-19-14)16(20)11-6-5-10(17)7-13(11)18/h2-8,19H,1H3.
What are the key properties of (2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone?
(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone has a molecular weight of 393.08 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 107949775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).