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

C16H11Br2NO — CID 107981685

IUPAC(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2c[nH]c3cc(Br)ccc23)c1Br
InChIInChI=1S/C16H11Br2NO/c1-9-3-2-4-12(15(9)18)16(20)13-8-19-14-7-10(17)5-6-11(13)14/h2-8,19H,1H3
InChIKeyNRSZRELPOPBFLV-UHFFFAOYSA-N
MW393.08 g/mol
LogP5.23
Rot. Bonds2

About (6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone

(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone (PubChem CID 107981685) has the molecular formula C16H11Br2NO and a molecular weight of 393.08 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
PubChem CID107981685
Molecular FormulaC16H11Br2NO
Molecular Weight393.08 g/mol
Exact Mass390.92
IUPAC Name(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2c[nH]c3cc(Br)ccc23)c1Br
InChIInChI=1S/C16H11Br2NO/c1-9-3-2-4-12(15(9)18)16(20)13-8-19-14-7-10(17)5-6-11(13)14/h2-8,19H,1H3
InChIKeyNRSZRELPOPBFLV-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-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662
(2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107981663
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81265814
(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237633
(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone
CID 62046005
(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 103298347
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone
CID 62046001
(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 107949775

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone (CID 107981685) is (6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone is Cc1cccc(C(=O)c2c[nH]c3cc(Br)ccc23)c1Br.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone?
The InChIKey is NRSZRELPOPBFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO/c1-9-3-2-4-12(15(9)18)16(20)13-8-19-14-7-10(17)5-6-11(13)14/h2-8,19H,1H3.
What are the key properties of (6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone?
(6-bromo-1H-indol-3-yl)-(2-bromo-3-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 (6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone is sourced from PubChem (CID 107981685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).