N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide

C15H8BrCl2NOS — CID 994741

IUPACN-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C15H8BrCl2NOS/c16-8-4-1-2-6-10(8)19-15(20)14-13(18)12-9(17)5-3-7-11(12)21-14/h1-7H,(H,19,20)
InChIKeyKGERBLOXSSPSPY-UHFFFAOYSA-N
MW401.11 g/mol
LogP6.22
Rot. Bonds2

About N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide

N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide (PubChem CID 994741) has the molecular formula C15H8BrCl2NOS and a molecular weight of 401.11 g/mol. Its IUPAC name is N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
PubChem CID994741
Molecular FormulaC15H8BrCl2NOS
Molecular Weight401.11 g/mol
Exact Mass398.89
IUPAC NameN-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C15H8BrCl2NOS/c16-8-4-1-2-6-10(8)19-15(20)14-13(18)12-9(17)5-3-7-11(12)21-14/h1-7H,(H,19,20)
InChIKeyKGERBLOXSSPSPY-UHFFFAOYSA-N
XLogP6.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.11
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 2933416
3,4-dichloro-N-[2-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 35684859
3,4-dichloro-N-(2,4-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 987829
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide
CID 1124680
1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164355
3,4-dichloro-N-(1,2-oxazol-3-yl)-1-benzothiophene-2-carboxamide
CID 5074180
3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 896662
3,4-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4676424
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
3,4-dichloro-N-(3-ethylphenyl)-1-benzothiophene-2-carboxamide
CID 997805

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide (CID 994741) is N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1Br)c1sc2cccc(Cl)c2c1Cl.
What is the InChIKey of N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide?
The InChIKey is KGERBLOXSSPSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NOS/c16-8-4-1-2-6-10(8)19-15(20)14-13(18)12-9(17)5-3-7-11(12)21-14/h1-7H,(H,19,20).
What are the key properties of N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide?
N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide has a molecular weight of 401.11 g/mol, XLogP of 6.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 994741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).