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

C15H9BrClNOS — CID 606808

IUPACN-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H9BrClNOS/c16-10-6-2-3-7-11(10)18-15(19)14-13(17)9-5-1-4-8-12(9)20-14/h1-8H,(H,18,19)
InChIKeyOYBMTNKQKLGKFN-UHFFFAOYSA-N
MW366.67 g/mol
LogP5.57
Rot. Bonds2

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

N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 606808) has the molecular formula C15H9BrClNOS and a molecular weight of 366.67 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID606808
Molecular FormulaC15H9BrClNOS
Molecular Weight366.67 g/mol
Exact Mass364.93
IUPAC NameN-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1sc2ccccc2c1Cl
InChIInChI=1S/C15H9BrClNOS/c16-10-6-2-3-7-11(10)18-15(19)14-13(17)9-5-1-4-8-12(9)20-14/h1-8H,(H,18,19)
InChIKeyOYBMTNKQKLGKFN-UHFFFAOYSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.67
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
CID 994741
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 4942446
3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 26364259
methyl 4-bromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 67512563
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
N-[(2-bromophenyl)carbamothioyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 2112160
3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide
CID 1012016

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide (CID 606808) is N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1Br)c1sc2ccccc2c1Cl.
What is the InChIKey of N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is OYBMTNKQKLGKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNOS/c16-10-6-2-3-7-11(10)18-15(19)14-13(17)9-5-1-4-8-12(9)20-14/h1-8H,(H,18,19).
What are the key properties of N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide?
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 366.67 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 606808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).