1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone

C17H11F2NOS — CID 112834071

IUPAC1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C17H11F2NOS/c18-10-7-14(19)12-5-6-20(15(12)8-10)17(21)13-9-22-16-4-2-1-3-11(13)16/h1-4,7-9H,5-6H2
InChIKeyPNBFFWLHTQKPMB-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.38
Rot. Bonds1

About 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone

1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 112834071) has the molecular formula C17H11F2NOS and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID112834071
Molecular FormulaC17H11F2NOS
Molecular Weight315.34 g/mol
Exact Mass315.05
IUPAC Name1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C17H11F2NOS/c18-10-7-14(19)12-5-6-20(15(12)8-10)17(21)13-9-22-16-4-2-1-3-11(13)16/h1-4,7-9H,5-6H2
InChIKeyPNBFFWLHTQKPMB-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
CID 112833947
(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone
CID 112833897
4,6-difluoro-2,3-dihydroindole-1-carboxylic acid
CID 175962184
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275
1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone
CID 113395873
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
CID 55671443
1-(1-benzothiophene-3-carbonyl)-1,4-diazepan-5-one
CID 55153408
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55671504
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone
CID 52723946
(4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 112834068
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone (CID 112834071) is 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone is O=C(c1csc2ccccc12)N1CCc2c(F)cc(F)cc21.
What is the InChIKey of 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PNBFFWLHTQKPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NOS/c18-10-7-14(19)12-5-6-20(15(12)8-10)17(21)13-9-22-16-4-2-1-3-11(13)16/h1-4,7-9H,5-6H2.
What are the key properties of 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone?
1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 315.34 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112834071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).