N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide

C13H11BrFNO2S — CID 104917070

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H11BrFNO2S/c1-16(6-8-5-11(14)19-7-8)13(18)12-9(15)3-2-4-10(12)17/h2-5,7,17H,6H2,1H3
InChIKeyZBJZZTJETJGVHY-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.63
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide

N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 104917070) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID104917070
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H11BrFNO2S/c1-16(6-8-5-11(14)19-7-8)13(18)12-9(15)3-2-4-10(12)17/h2-5,7,17H,6H2,1H3
InChIKeyZBJZZTJETJGVHY-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62661675
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582
2-fluoro-6-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 104917136
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
CID 54983997
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
2-fluoro-6-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104917513
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide (CID 104917070) is N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide is CN(Cc1csc(Br)c1)C(=O)c1c(O)cccc1F.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is ZBJZZTJETJGVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c1-16(6-8-5-11(14)19-7-8)13(18)12-9(15)3-2-4-10(12)17/h2-5,7,17H,6H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 344.21 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 104917070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).