(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C13H9BrFNOS — CID 113228439

IUPAC(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CCc2ccc(F)cc21
InChIInChI=1S/C13H9BrFNOS/c14-12-4-3-11(18-12)13(17)16-6-5-8-1-2-9(15)7-10(8)16/h1-4,7H,5-6H2
InChIKeyHATJINHGMAPEGW-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.85
Rot. Bonds1

About (5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 113228439) has the molecular formula C13H9BrFNOS and a molecular weight of 326.19 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID113228439
Molecular FormulaC13H9BrFNOS
Molecular Weight326.19 g/mol
Exact Mass324.96
IUPAC Name(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Br)s1)N1CCc2ccc(F)cc21
InChIInChI=1S/C13H9BrFNOS/c14-12-4-3-11(18-12)13(17)16-6-5-8-1-2-9(15)7-10(8)16/h1-4,7H,5-6H2
InChIKeyHATJINHGMAPEGW-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-7-fluoro-3,4-dihydroquinolin-2-one
CID 62017896
(5-bromofuran-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228436
5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid
CID 154800655
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103504880
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103504881
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
2-bromo-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 103494351

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 113228439) is (5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Br)s1)N1CCc2ccc(F)cc21.
What is the InChIKey of (5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is HATJINHGMAPEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNOS/c14-12-4-3-11(18-12)13(17)16-6-5-8-1-2-9(15)7-10(8)16/h1-4,7H,5-6H2.
What are the key properties of (5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 326.19 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 113228439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).