4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide

C13H12BrNO2S — CID 47436073

IUPAC4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1O)c1cccs1
InChIInChI=1S/C13H12BrNO2S/c1-8(12-3-2-6-18-12)15-13(17)10-5-4-9(14)7-11(10)16/h2-8,16H,1H3,(H,15,17)
InChIKeyFMFJFISBCGGVOA-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.71
Rot. Bonds3

About 4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide

4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 47436073) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID47436073
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1O)c1cccs1
InChIInChI=1S/C13H12BrNO2S/c1-8(12-3-2-6-18-12)15-13(17)10-5-4-9(14)7-11(10)16/h2-8,16H,1H3,(H,15,17)
InChIKeyFMFJFISBCGGVOA-UHFFFAOYSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649
2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 80958201
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-bromo-2-hydroxybenzoate
CID 8022071
2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27754373
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 62169182
2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 112766143
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide (CID 47436073) is 4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide is CC(NC(=O)c1ccc(Br)cc1O)c1cccs1.
What is the InChIKey of 4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is FMFJFISBCGGVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-8(12-3-2-6-18-12)15-13(17)10-5-4-9(14)7-11(10)16/h2-8,16H,1H3,(H,15,17).
What are the key properties of 4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide?
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 326.22 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 47436073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).