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

C13H11BrFNO2S — CID 103940156

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCCc1ccc(Br)s1)c1ccc(O)cc1F
InChIInChI=1S/C13H11BrFNO2S/c14-12-4-2-9(19-12)5-6-16-13(18)10-3-1-8(17)7-11(10)15/h1-4,7,17H,5-6H2,(H,16,18)
InChIKeyLPFGBRONBBMEAB-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.33
Rot. Bonds4

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

N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 103940156) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide
PubChem CID103940156
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(NCCc1ccc(Br)s1)c1ccc(O)cc1F
InChIInChI=1S/C13H11BrFNO2S/c14-12-4-2-9(19-12)5-6-16-13(18)10-3-1-8(17)7-11(10)15/h1-4,7,17H,5-6H2,(H,16,18)
InChIKeyLPFGBRONBBMEAB-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 106047985
2,4-diamino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 106033536
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
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-but-3-enyl-2-fluoro-4-hydroxybenzamide
CID 107676829
N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitrobenzamide
CID 104877746
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 30770191
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide
CID 103863673
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24609959

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide (CID 103940156) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide is O=C(NCCc1ccc(Br)s1)c1ccc(O)cc1F.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is LPFGBRONBBMEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c14-12-4-2-9(19-12)5-6-16-13(18)10-3-1-8(17)7-11(10)15/h1-4,7,17H,5-6H2,(H,16,18).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 344.21 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 103940156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).