N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide

C15H8BrClFNOS — CID 103867716

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cc2ccccc2s1
InChIInChI=1S/C15H8BrClFNOS/c16-10-6-9(18)7-11(17)14(10)19-15(20)13-5-8-3-1-2-4-12(8)21-13/h1-7H,(H,19,20)
InChIKeyJIMBWDNGQPSLGM-UHFFFAOYSA-N
MW384.66 g/mol
LogP5.71
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 103867716) has the molecular formula C15H8BrClFNOS and a molecular weight of 384.66 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID103867716
Molecular FormulaC15H8BrClFNOS
Molecular Weight384.66 g/mol
Exact Mass382.92
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1cc2ccccc2s1
InChIInChI=1S/C15H8BrClFNOS/c16-10-6-9(18)7-11(17)14(10)19-15(20)13-5-8-3-1-2-4-12(8)21-13/h1-7H,(H,19,20)
InChIKeyJIMBWDNGQPSLGM-UHFFFAOYSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.66
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
CID 107612502
N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
CID 65499900
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
N-(2-amino-6-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 62085161
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103867824
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide
CID 103867738
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide (CID 103867716) is N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1c(Cl)cc(F)cc1Br)c1cc2ccccc2s1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is JIMBWDNGQPSLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFNOS/c16-10-6-9(18)7-11(17)14(10)19-15(20)13-5-8-3-1-2-4-12(8)21-13/h1-7H,(H,19,20).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 384.66 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103867716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).