3-fluoro-N-methyl-4-methylsulfanylbenzamide

C9H10FNOS — CID 149067923

IUPAC3-fluoro-N-methyl-4-methylsulfanylbenzamide
SMILESCNC(=O)c1ccc(SC)c(F)c1
InChIInChI=1S/C9H10FNOS/c1-11-9(12)6-3-4-8(13-2)7(10)5-6/h3-5H,1-2H3,(H,11,12)
InChIKeyQNFDJCUXZIFKDB-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.91
Rot. Bonds2

About 3-fluoro-N-methyl-4-methylsulfanylbenzamide

3-fluoro-N-methyl-4-methylsulfanylbenzamide (PubChem CID 149067923) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-methylsulfanylbenzamide
PubChem CID149067923
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name3-fluoro-N-methyl-4-methylsulfanylbenzamide
SMILESCNC(=O)c1ccc(SC)c(F)c1
InChIInChI=1S/C9H10FNOS/c1-11-9(12)6-3-4-8(13-2)7(10)5-6/h3-5H,1-2H3,(H,11,12)
InChIKeyQNFDJCUXZIFKDB-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
CID 165120813
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270
CID 167532226
CID 167532226
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
N-methyl-4-(1-methylsulfanylethyl)benzamide
CID 59428965
[2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite
CID 122522384
4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide
CID 164571859
3-(2,4-difluorophenyl)sulfanyl-N-methyl-4-nitrobenzamide
CID 10471482
3-[2-fluoro-4-(methylcarbamoyl)phenyl]prop-2-enoic acid
CID 76913953
2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
CID 86683687
3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156732

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of 3-fluoro-N-methyl-4-methylsulfanylbenzamide (CID 149067923) is 3-fluoro-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for 3-fluoro-N-methyl-4-methylsulfanylbenzamide is CNC(=O)c1ccc(SC)c(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is QNFDJCUXZIFKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-11-9(12)6-3-4-8(13-2)7(10)5-6/h3-5H,1-2H3,(H,11,12).
What are the key properties of 3-fluoro-N-methyl-4-methylsulfanylbenzamide?
3-fluoro-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 199.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 149067923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).