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

C17H14BrNO — CID 107981662

IUPAC(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3cccc(C)c3Br)c[nH]c2c1
InChIInChI=1S/C17H14BrNO/c1-10-6-7-12-14(9-19-15(12)8-10)17(20)13-5-3-4-11(2)16(13)18/h3-9,19H,1-2H3
InChIKeyKBFMOEYRJGDFSN-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.78
Rot. Bonds2

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

(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone (PubChem CID 107981662) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
PubChem CID107981662
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3cccc(C)c3Br)c[nH]c2c1
InChIInChI=1S/C17H14BrNO/c1-10-6-7-12-14(9-19-15(12)8-10)17(20)13-5-3-4-11(2)16(13)18/h3-9,19H,1-2H3
InChIKeyKBFMOEYRJGDFSN-UHFFFAOYSA-N
XLogP4.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
CID 107981685
(2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107981663
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 81472433
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
(5-bromofuran-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 43463712
3-(2,3-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916755
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone (CID 107981662) is (2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone is Cc1ccc2c(C(=O)c3cccc(C)c3Br)c[nH]c2c1.
What is the InChIKey of (2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
The InChIKey is KBFMOEYRJGDFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-10-6-7-12-14(9-19-15(12)8-10)17(20)13-5-3-4-11(2)16(13)18/h3-9,19H,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone has a molecular weight of 328.21 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 107981662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).