1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

C14H12BrNOS — CID 116593567

IUPAC1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(CC1CNc2ccccc21)c1cscc1Br
InChIInChI=1S/C14H12BrNOS/c15-12-8-18-7-11(12)14(17)5-9-6-16-13-4-2-1-3-10(9)13/h1-4,7-9,16H,5-6H2
InChIKeyQXDMDVGAQNXGDS-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.29
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone

1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (PubChem CID 116593567) has the molecular formula C14H12BrNOS and a molecular weight of 322.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
PubChem CID116593567
Molecular FormulaC14H12BrNOS
Molecular Weight322.23 g/mol
Exact Mass320.98
IUPAC Name1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(CC1CNc2ccccc21)c1cscc1Br
InChIInChI=1S/C14H12BrNOS/c15-12-8-18-7-11(12)14(17)5-9-6-16-13-4-2-1-3-10(9)13/h1-4,7-9,16H,5-6H2
InChIKeyQXDMDVGAQNXGDS-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone (CID 116593567) is 1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is O=C(CC1CNc2ccccc21)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
The InChIKey is QXDMDVGAQNXGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNOS/c15-12-8-18-7-11(12)14(17)5-9-6-16-13-4-2-1-3-10(9)13/h1-4,7-9,16H,5-6H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone?
1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone has a molecular weight of 322.23 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 116593567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).