(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone

C16H11Br2NO — CID 115351639

IUPAC(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2c[nH]c3cccc(Br)c23)c1
InChIInChI=1S/C16H11Br2NO/c1-9-5-6-12(17)10(7-9)16(20)11-8-19-14-4-2-3-13(18)15(11)14/h2-8,19H,1H3
InChIKeyCSLNSDFZMKEGDQ-UHFFFAOYSA-N
MW393.08 g/mol
LogP5.23
Rot. Bonds2

About (4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone

(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone (PubChem CID 115351639) has the molecular formula C16H11Br2NO and a molecular weight of 393.08 g/mol. Its IUPAC name is (4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
PubChem CID115351639
Molecular FormulaC16H11Br2NO
Molecular Weight393.08 g/mol
Exact Mass390.92
IUPAC Name(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2c[nH]c3cccc(Br)c23)c1
InChIInChI=1S/C16H11Br2NO/c1-9-5-6-12(17)10(7-9)16(20)11-8-19-14-4-2-3-13(18)15(11)14/h2-8,19H,1H3
InChIKeyCSLNSDFZMKEGDQ-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-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
3-(2-amino-5-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919633
1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 107949775
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
CID 115351483
(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 113292183
(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43341896
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115351557

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone?
The IUPAC name of (4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone (CID 115351639) is (4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone?
The canonical SMILES for (4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone is Cc1ccc(Br)c(C(=O)c2c[nH]c3cccc(Br)c23)c1.
What is the InChIKey of (4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone?
The InChIKey is CSLNSDFZMKEGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO/c1-9-5-6-12(17)10(7-9)16(20)11-8-19-14-4-2-3-13(18)15(11)14/h2-8,19H,1H3.
What are the key properties of (4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone?
(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)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 (4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone is sourced from PubChem (CID 115351639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).