5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide

C12H9Br2NO2S — CID 107729654

IUPAC5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
SMILESO=C(NCc1cc(Br)cs1)c1cc(Br)ccc1O
InChIInChI=1S/C12H9Br2NO2S/c13-7-1-2-11(16)10(4-7)12(17)15-5-9-3-8(14)6-18-9/h1-4,6,16H,5H2,(H,15,17)
InChIKeyHYOHXPSOMSXOAU-UHFFFAOYSA-N
MW391.08 g/mol
LogP3.91
Rot. Bonds3

About 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide

5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide (PubChem CID 107729654) has the molecular formula C12H9Br2NO2S and a molecular weight of 391.08 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
PubChem CID107729654
Molecular FormulaC12H9Br2NO2S
Molecular Weight391.08 g/mol
Exact Mass388.87
IUPAC Name5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
SMILESO=C(NCc1cc(Br)cs1)c1cc(Br)ccc1O
InChIInChI=1S/C12H9Br2NO2S/c13-7-1-2-11(16)10(4-7)12(17)15-5-9-3-8(14)6-18-9/h1-4,6,16H,5H2,(H,15,17)
InChIKeyHYOHXPSOMSXOAU-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.08
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829795
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103616957
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215
5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 36886831
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
CID 103777410
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-nitrobenzamide
CID 103746388

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide (CID 107729654) is 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide is O=C(NCc1cc(Br)cs1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide?
The InChIKey is HYOHXPSOMSXOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO2S/c13-7-1-2-11(16)10(4-7)12(17)15-5-9-3-8(14)6-18-9/h1-4,6,16H,5H2,(H,15,17).
What are the key properties of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide?
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide has a molecular weight of 391.08 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 107729654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).