N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide

C15H9BrClNOS — CID 107951910

IUPACN-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide
SMILESO=C(Nc1ccc2sccc2c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H9BrClNOS/c16-11-5-10(6-12(17)8-11)15(19)18-13-1-2-14-9(7-13)3-4-20-14/h1-8H,(H,18,19)
InChIKeyLONSXDYJQRPTIJ-UHFFFAOYSA-N
MW366.67 g/mol
LogP5.57
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide

N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide (PubChem CID 107951910) has the molecular formula C15H9BrClNOS and a molecular weight of 366.67 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide
PubChem CID107951910
Molecular FormulaC15H9BrClNOS
Molecular Weight366.67 g/mol
Exact Mass364.93
IUPAC NameN-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide
SMILESO=C(Nc1ccc2sccc2c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H9BrClNOS/c16-11-5-10(6-12(17)8-11)15(19)18-13-1-2-14-9(7-13)3-4-20-14/h1-8H,(H,18,19)
InChIKeyLONSXDYJQRPTIJ-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

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N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
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3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
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N-(1-benzothiophen-5-yl)-4-(ethylamino)benzamide
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N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
CID 114371119
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
CID 2423033
N-(1-benzothiophen-5-yl)-4-fluoro-3-sulfanylbenzamide
CID 107031254
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
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N-(1-benzothiophen-5-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763594
3-bromo-5-chloro-N-(3-iodo-4-methylphenyl)benzamide
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CID 23796811

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide (CID 107951910) is N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide is O=C(Nc1ccc2sccc2c1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide?
The InChIKey is LONSXDYJQRPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNOS/c16-11-5-10(6-12(17)8-11)15(19)18-13-1-2-14-9(7-13)3-4-20-14/h1-8H,(H,18,19).
What are the key properties of N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide?
N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide 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-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide is sourced from PubChem (CID 107951910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).