2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C17H16BrNO — CID 113098893

IUPAC2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C17H16BrNO/c1-12-9-14-6-2-3-8-16(14)19(12)17(20)11-13-5-4-7-15(18)10-13/h2-8,10,12H,9,11H2,1H3
InChIKeyIOBYFDMCHQMZKE-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.97
Rot. Bonds2

About 2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 113098893) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID113098893
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C17H16BrNO/c1-12-9-14-6-2-3-8-16(14)19(12)17(20)11-13-5-4-7-15(18)10-13/h2-8,10,12H,9,11H2,1H3
InChIKeyIOBYFDMCHQMZKE-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110772518
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365676
2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 100699588
5-[2-[(3-bromophenyl)methyl-methylamino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 42927843
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-bromobenzoate
CID 2429819
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-phenylpropylsulfanyl)ethanone
CID 5149446
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 113098893) is 2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is IOBYFDMCHQMZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-12-9-14-6-2-3-8-16(14)19(12)17(20)11-13-5-4-7-15(18)10-13/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 330.23 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 113098893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).