N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide

C21H13Br2NOS — CID 129086159

IUPACN-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide
SMILESO=C(Nc1ccccc1-c1cc2ccccc2s1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C21H13Br2NOS/c22-15-9-14(10-16(23)12-15)21(25)24-18-7-3-2-6-17(18)20-11-13-5-1-4-8-19(13)26-20/h1-12H,(H,24,25)
InChIKeyXVWYMQCFHMYVRT-UHFFFAOYSA-N
MW487.22 g/mol
LogP7.35
Rot. Bonds3

About N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide

N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide (PubChem CID 129086159) has the molecular formula C21H13Br2NOS and a molecular weight of 487.22 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide
PubChem CID129086159
Molecular FormulaC21H13Br2NOS
Molecular Weight487.22 g/mol
Exact Mass484.91
IUPAC NameN-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide
SMILESO=C(Nc1ccccc1-c1cc2ccccc2s1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C21H13Br2NOS/c22-15-9-14(10-16(23)12-15)21(25)24-18-7-3-2-6-17(18)20-11-13-5-1-4-8-19(13)26-20/h1-12H,(H,24,25)
InChIKeyXVWYMQCFHMYVRT-UHFFFAOYSA-N
XLogP7.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.22
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 142723952
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
CID 65499900
4-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 123563775
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 26181557
2-[(3,5-dibromobenzoyl)amino]-6-methylbenzoic acid
CID 107971461

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide (CID 129086159) is N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide is O=C(Nc1ccccc1-c1cc2ccccc2s1)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide?
The InChIKey is XVWYMQCFHMYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Br2NOS/c22-15-9-14(10-16(23)12-15)21(25)24-18-7-3-2-6-17(18)20-11-13-5-1-4-8-19(13)26-20/h1-12H,(H,24,25).
What are the key properties of N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide?
N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide has a molecular weight of 487.22 g/mol, XLogP of 7.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)phenyl]-3,5-dibromobenzamide is sourced from PubChem (CID 129086159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).