N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

C15H11BrFNOS — CID 78993536

IUPACN-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)C1CSc2ccccc21
InChIInChI=1S/C15H11BrFNOS/c16-12-7-9(17)5-6-13(12)18-15(19)11-8-20-14-4-2-1-3-10(11)14/h1-7,11H,8H2,(H,18,19)
InChIKeyKVMAJTVXLQDLJG-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.42
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 78993536) has the molecular formula C15H11BrFNOS and a molecular weight of 352.23 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID78993536
Molecular FormulaC15H11BrFNOS
Molecular Weight352.23 g/mol
Exact Mass350.97
IUPAC NameN-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)C1CSc2ccccc21
InChIInChI=1S/C15H11BrFNOS/c16-12-7-9(17)5-6-13(12)18-15(19)11-8-20-14-4-2-1-3-10(11)14/h1-7,11H,8H2,(H,18,19)
InChIKeyKVMAJTVXLQDLJG-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-3-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 113268388
N-[2-(chloromethyl)phenyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 114298085
2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
CID 105085086
N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 103811225
N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 75388630
(2-bromo-4-fluorophenyl)urea
CID 28939155
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 75504594
(3S)-N-(5-bromo-6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 100693808
N-(3-amino-2-methylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213650
N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 78971301
(3R)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 95771444
N-(2-amino-4-bromo-6-methylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213644

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 78993536) is N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is O=C(Nc1ccc(F)cc1Br)C1CSc2ccccc21.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is KVMAJTVXLQDLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNOS/c16-12-7-9(17)5-6-13(12)18-15(19)11-8-20-14-4-2-1-3-10(11)14/h1-7,11H,8H2,(H,18,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 78993536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).