4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide

C13H12FNO2S — CID 103829573

IUPAC4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H12FNO2S/c1-15(8-10-3-2-6-18-10)13(17)11-5-4-9(14)7-12(11)16/h2-7,16H,8H2,1H3
InChIKeyAIUBVJLOBLMFKR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.87
Rot. Bonds3

About 4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide

4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 103829573) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID103829573
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H12FNO2S/c1-15(8-10-3-2-6-18-10)13(17)11-5-4-9(14)7-12(11)16/h2-7,16H,8H2,1H3
InChIKeyAIUBVJLOBLMFKR-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 47435985
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196
N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829715
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzamide
CID 103924500
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
4-fluoro-2-hydroxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103829866
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
2-bromo-N-[2-(dimethylamino)ethyl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 154750014
4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide
CID 103527334

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 103829573) is 4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide is CN(Cc1cccs1)C(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is AIUBVJLOBLMFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-15(8-10-3-2-6-18-10)13(17)11-5-4-9(14)7-12(11)16/h2-7,16H,8H2,1H3.
What are the key properties of 4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 265.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 103829573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).