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

C16H11Br2NO — CID 107949694

IUPAC(2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H11Br2NO/c1-9-15(12-4-2-3-5-14(12)19-9)16(20)11-7-6-10(17)8-13(11)18/h2-8,19H,1H3
InChIKeyJSZFZPXOINAJKM-UHFFFAOYSA-N
MW393.08 g/mol
LogP5.23
Rot. Bonds2

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

(2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 107949694) has the molecular formula C16H11Br2NO and a molecular weight of 393.08 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone
PubChem CID107949694
Molecular FormulaC16H11Br2NO
Molecular Weight393.08 g/mol
Exact Mass390.92
IUPAC Name(2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H11Br2NO/c1-9-15(12-4-2-3-5-14(12)19-9)16(20)11-7-6-10(17)8-13(11)18/h2-8,19H,1H3
InChIKeyJSZFZPXOINAJKM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223
(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339192
(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339219
anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
CID 10065533
(5-bromothiophen-3-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 114021021
(5-bromofuran-2-yl)-(2-methyl-1H-indol-3-yl)methanone
CID 43463185
CID 170645728
CID 170645728
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
[5-amino-3-(3-bromophenyl)-4-(2-methyl-1H-indole-3-carbonyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 70698470
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
4-(2-methyl-1H-indole-3-carbonyl)benzonitrile
CID 10422724

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone (CID 107949694) is (2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is JSZFZPXOINAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO/c1-9-15(12-4-2-3-5-14(12)19-9)16(20)11-7-6-10(17)8-13(11)18/h2-8,19H,1H3.
What are the key properties of (2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone?
(2,4-dibromophenyl)-(2-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)-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 107949694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).