1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one

C17H16BrNO — CID 116593523

IUPAC1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
SMILESO=C(Cc1ccc(Br)cc1)CC1CNc2ccccc21
InChIInChI=1S/C17H16BrNO/c18-14-7-5-12(6-8-14)9-15(20)10-13-11-19-17-4-2-1-3-16(13)17/h1-8,13,19H,9-11H2
InChIKeyVVAXZDMFBXEILX-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.16
Rot. Bonds4

About 1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one

1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one (PubChem CID 116593523) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
PubChem CID116593523
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
SMILESO=C(Cc1ccc(Br)cc1)CC1CNc2ccccc21
InChIInChI=1S/C17H16BrNO/c18-14-7-5-12(6-8-14)9-15(20)10-13-11-19-17-4-2-1-3-16(13)17/h1-8,13,19H,9-11H2
InChIKeyVVAXZDMFBXEILX-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593495
1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593548
1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one
CID 116593583
2-(2,3-dihydro-1H-indol-3-yl)-1-(4-ethylphenyl)ethanone
CID 116593600
N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 107583431
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332228
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571757
1-(3-bromo-2-fluorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 106647229
N-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573033
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-(2,3-dihydro-1H-indol-3-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217538

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one (CID 116593523) is 1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one is O=C(Cc1ccc(Br)cc1)CC1CNc2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one?
The InChIKey is VVAXZDMFBXEILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-14-7-5-12(6-8-14)9-15(20)10-13-11-19-17-4-2-1-3-16(13)17/h1-8,13,19H,9-11H2.
What are the key properties of 1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one?
1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one has a molecular weight of 330.23 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one is sourced from PubChem (CID 116593523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).