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

C14H12BrNOS — CID 116594673

IUPAC2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1cc(Br)cs1)C1CNc2ccccc21
InChIInChI=1S/C14H12BrNOS/c15-9-5-10(18-8-9)6-14(17)12-7-16-13-4-2-1-3-11(12)13/h1-5,8,12,16H,6-7H2
InChIKeyKSVGGBKDRMXHLQ-UHFFFAOYSA-N
MW322.23 g/mol
LogP3.83
Rot. Bonds3

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

2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone (PubChem CID 116594673) has the molecular formula C14H12BrNOS and a molecular weight of 322.23 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
PubChem CID116594673
Molecular FormulaC14H12BrNOS
Molecular Weight322.23 g/mol
Exact Mass320.98
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1cc(Br)cs1)C1CNc2ccccc21
InChIInChI=1S/C14H12BrNOS/c15-9-5-10(18-8-9)6-14(17)12-7-16-13-4-2-1-3-11(12)13/h1-5,8,12,16H,6-7H2
InChIKeyKSVGGBKDRMXHLQ-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone
CID 116594496
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 107311420
N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1H-indol-3-yl)methanamine
CID 80566632
1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116594701
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80567333
1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 116598213
N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
2-(4-bromothiophen-2-yl)-1-cycloheptylethanone
CID 65399690
thiophen-2-ylmethyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565822
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116594603
2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
CID 174877397

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone (CID 116594673) is 2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone is O=C(Cc1cc(Br)cs1)C1CNc2ccccc21.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
The InChIKey is KSVGGBKDRMXHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNOS/c15-9-5-10(18-8-9)6-14(17)12-7-16-13-4-2-1-3-11(12)13/h1-5,8,12,16H,6-7H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone?
2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone has a molecular weight of 322.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 116594673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).