N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide

C15H8BrClFNOS — CID 26914051

IUPACN-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C15H8BrClFNOS/c16-8-2-1-3-10(6-8)19-15(20)14-13(17)11-5-4-9(18)7-12(11)21-14/h1-7H,(H,19,20)
InChIKeyXYINCVLFQNTYQL-UHFFFAOYSA-N
MW384.66 g/mol
LogP5.71
Rot. Bonds2

About N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide

N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 26914051) has the molecular formula C15H8BrClFNOS and a molecular weight of 384.66 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID26914051
Molecular FormulaC15H8BrClFNOS
Molecular Weight384.66 g/mol
Exact Mass382.92
IUPAC NameN-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C15H8BrClFNOS/c16-8-2-1-3-10(6-8)19-15(20)14-13(17)11-5-4-9(18)7-12(11)21-14/h1-7H,(H,19,20)
InChIKeyXYINCVLFQNTYQL-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

N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 993999
3-chloro-6-fluoro-N-(3-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide
CID 2087791
3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498
3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 39209798
3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 9097794
3-chloro-6-fluoro-N-[3-(pyridin-3-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 55804939
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
N-[(2-bromophenyl)carbamothioyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 2112160
3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide
CID 26123631
3-chloro-6-fluoro-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 46475379
6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide
CID 2970899

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (CID 26914051) is N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(Br)c1)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is XYINCVLFQNTYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFNOS/c16-8-2-1-3-10(6-8)19-15(20)14-13(17)11-5-4-9(18)7-12(11)21-14/h1-7H,(H,19,20).
What are the key properties of N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
N-(3-bromophenyl)-3-chloro-6-fluoro-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-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26914051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).