N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide

C15H9Br2NOS — CID 114371119

IUPACN-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
SMILESO=C(Nc1ccc2sccc2c1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H9Br2NOS/c16-10-1-3-13(17)12(8-10)15(19)18-11-2-4-14-9(7-11)5-6-20-14/h1-8H,(H,18,19)
InChIKeyXZZCLJOFEQDDHY-UHFFFAOYSA-N
MW411.12 g/mol
LogP5.68
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide

N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide (PubChem CID 114371119) has the molecular formula C15H9Br2NOS and a molecular weight of 411.12 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
PubChem CID114371119
Molecular FormulaC15H9Br2NOS
Molecular Weight411.12 g/mol
Exact Mass408.88
IUPAC NameN-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
SMILESO=C(Nc1ccc2sccc2c1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H9Br2NOS/c16-10-1-3-13(17)12(8-10)15(19)18-11-2-4-14-9(7-11)5-6-20-14/h1-8H,(H,18,19)
InChIKeyXZZCLJOFEQDDHY-UHFFFAOYSA-N
XLogP5.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.12
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
CID 80980410
N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
CID 103872126
3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
CID 62057837
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide
CID 107951910
5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
CID 107185377
N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide
CID 106685930
N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide
CID 82829825
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
CID 65474617
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
2-(1-benzothiophen-5-ylamino)-N-(4-bromophenyl)acetamide
CID 60706018
5-bromo-1-benzothiophene
CID 2776578

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide (CID 114371119) is N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide is O=C(Nc1ccc2sccc2c1)c1cc(Br)ccc1Br.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide?
The InChIKey is XZZCLJOFEQDDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2NOS/c16-10-1-3-13(17)12(8-10)15(19)18-11-2-4-14-9(7-11)5-6-20-14/h1-8H,(H,18,19).
What are the key properties of N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide?
N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide has a molecular weight of 411.12 g/mol, XLogP of 5.68, 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)-2,5-dibromobenzamide is sourced from PubChem (CID 114371119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).