2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone

C17H16BrNO2 — CID 116554254

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C17H16BrNO2/c1-21-14-3-4-15(18)13(9-14)10-17(20)12-2-5-16-11(8-12)6-7-19-16/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyCJFFAXOBRYRADX-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.85
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone

2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 116554254) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID116554254
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C17H16BrNO2/c1-21-14-3-4-15(18)13(9-14)10-17(20)12-2-5-16-11(8-12)6-7-19-16/h2-5,8-9,19H,6-7,10H2,1H3
InChIKeyCJFFAXOBRYRADX-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 114329747
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 62873180
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
CID 82102369
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 106272804

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone (CID 116554254) is 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone is COc1ccc(Br)c(CC(=O)c2ccc3c(c2)CCN3)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is CJFFAXOBRYRADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-21-14-3-4-15(18)13(9-14)10-17(20)12-2-5-16-11(8-12)6-7-19-16/h2-5,8-9,19H,6-7,10H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone?
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 346.22 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 116554254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).