4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide

C12H16FNO2S — CID 113346483

IUPAC4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO2S/c1-8(7-17-3)14(2)12(16)10-5-4-9(13)6-11(10)15/h4-6,8,15H,7H2,1-3H3
InChIKeyQVBWIJJWYPHZEJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.35
Rot. Bonds4

About 4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide

4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 113346483) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID113346483
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO2S/c1-8(7-17-3)14(2)12(16)10-5-4-9(13)6-11(10)15/h4-6,8,15H,7H2,1-3H3
InChIKeyQVBWIJJWYPHZEJ-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115986882
N-(2-bromopropyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107016758
2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656503
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281484
2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
N,4-dimethyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664234
5-fluoro-N,3-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-2-nitrobenzamide
CID 97226413
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692105
2-(ethylamino)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664227

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 113346483) is 4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)N(C)C(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is QVBWIJJWYPHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-8(7-17-3)14(2)12(16)10-5-4-9(13)6-11(10)15/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 2.35, 4 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-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 113346483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).