2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide

C15H16FNO2S — CID 103941360

IUPAC2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
SMILESCc1ccc(CC(C)NC(=O)c2ccc(O)cc2F)s1
InChIInChI=1S/C15H16FNO2S/c1-9(7-12-5-3-10(2)20-12)17-15(19)13-6-4-11(18)8-14(13)16/h3-6,8-9,18H,7H2,1-2H3,(H,17,19)
InChIKeyDJUUDIDGLLIFFV-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.26
Rot. Bonds4

About 2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide

2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide (PubChem CID 103941360) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
PubChem CID103941360
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
SMILESCc1ccc(CC(C)NC(=O)c2ccc(O)cc2F)s1
InChIInChI=1S/C15H16FNO2S/c1-9(7-12-5-3-10(2)20-12)17-15(19)13-6-4-11(18)8-14(13)16/h3-6,8-9,18H,7H2,1-2H3,(H,17,19)
InChIKeyDJUUDIDGLLIFFV-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104929818
5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 65311265
N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 104929706
3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 105388398
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide
CID 78997668
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-sulfanylbenzamide
CID 107030799
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369708

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide (CID 103941360) is 2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide is Cc1ccc(CC(C)NC(=O)c2ccc(O)cc2F)s1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
The InChIKey is DJUUDIDGLLIFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-9(7-12-5-3-10(2)20-12)17-15(19)13-6-4-11(18)8-14(13)16/h3-6,8-9,18H,7H2,1-2H3,(H,17,19).
What are the key properties of 2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide?
2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide has a molecular weight of 293.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 103941360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).