N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide

C15H9BrFNOS — CID 78910861

IUPACN-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H9BrFNOS/c16-11-3-1-2-4-12(11)18-15(19)14-7-9-5-6-10(17)8-13(9)20-14/h1-8H,(H,18,19)
InChIKeyFTXDCPIOMHMLSS-UHFFFAOYSA-N
MW350.21 g/mol
LogP5.06
Rot. Bonds2

About N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide

N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 78910861) has the molecular formula C15H9BrFNOS and a molecular weight of 350.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID78910861
Molecular FormulaC15H9BrFNOS
Molecular Weight350.21 g/mol
Exact Mass348.96
IUPAC NameN-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H9BrFNOS/c16-11-3-1-2-4-12(11)18-15(19)14-7-9-5-6-10(17)8-13(9)20-14/h1-8H,(H,18,19)
InChIKeyFTXDCPIOMHMLSS-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.21
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide 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

N-[2-(bromomethyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 114309702
N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81115919
N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 80502021
(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106647478
N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 142723853
6-fluoro-N-[(2-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115735462
N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115627252
N-(2-cyano-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79954172
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55911688

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 78910861) is N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1Br)c1cc2ccc(F)cc2s1.
What is the InChIKey of N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is FTXDCPIOMHMLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNOS/c16-11-3-1-2-4-12(11)18-15(19)14-7-9-5-6-10(17)8-13(9)20-14/h1-8H,(H,18,19).
What are the key properties of N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide?
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 350.21 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 78910861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).