4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide

C13H11Br2NO2S — CID 103872156

IUPAC4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
SMILESO=C(NCCc1ccc(Br)s1)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H11Br2NO2S/c14-10-3-1-8(7-11(10)17)13(18)16-6-5-9-2-4-12(15)19-9/h1-4,7,17H,5-6H2,(H,16,18)
InChIKeyQEOSOSXMGJAVJT-UHFFFAOYSA-N
MW405.11 g/mol
LogP3.95
Rot. Bonds4

About 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide

4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide (PubChem CID 103872156) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
PubChem CID103872156
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC Name4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
SMILESO=C(NCCc1ccc(Br)s1)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H11Br2NO2S/c14-10-3-1-8(7-11(10)17)13(18)16-6-5-9-2-4-12(15)19-9/h1-4,7,17H,5-6H2,(H,16,18)
InChIKeyQEOSOSXMGJAVJT-UHFFFAOYSA-N
XLogP3.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.11
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 113228249
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
CID 26082273
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(chloromethyl)benzamide
CID 106033728
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
CID 103773107
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
CID 114139345
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790295
N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105055798
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 106042063
4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
CID 103830357
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 30389923

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide (CID 103872156) is 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide is O=C(NCCc1ccc(Br)s1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide?
The InChIKey is QEOSOSXMGJAVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c14-10-3-1-8(7-11(10)17)13(18)16-6-5-9-2-4-12(15)19-9/h1-4,7,17H,5-6H2,(H,16,18).
What are the key properties of 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide?
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide has a molecular weight of 405.11 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 103872156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).