N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide

C15H8BrF2NOS — CID 65499900

IUPACN-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1cc2ccccc2s1
InChIInChI=1S/C15H8BrF2NOS/c16-9-6-10(17)14(11(18)7-9)19-15(20)13-5-8-3-1-2-4-12(8)21-13/h1-7H,(H,19,20)
InChIKeyWOEKCNDWPSVDHS-UHFFFAOYSA-N
MW368.20 g/mol
LogP5.19
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide

N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 65499900) has the molecular formula C15H8BrF2NOS and a molecular weight of 368.20 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID65499900
Molecular FormulaC15H8BrF2NOS
Molecular Weight368.20 g/mol
Exact Mass366.95
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1cc2ccccc2s1
InChIInChI=1S/C15H8BrF2NOS/c16-9-6-10(17)14(11(18)7-9)19-15(20)13-5-8-3-1-2-4-12(8)21-13/h1-7H,(H,19,20)
InChIKeyWOEKCNDWPSVDHS-UHFFFAOYSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.20
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 103867716
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 102674100
5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79947502
N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 47008465
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097
N-(2-amino-6-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 62085161
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide (CID 65499900) is N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1c(F)cc(Br)cc1F)c1cc2ccccc2s1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is WOEKCNDWPSVDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF2NOS/c16-9-6-10(17)14(11(18)7-9)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-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide?
N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 368.20 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 65499900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).