2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide

C12H13F4NOS — CID 112698072

IUPAC2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide
SMILESCSCCN(C)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H13F4NOS/c1-17(6-7-19-2)11(18)8-4-3-5-9(10(8)13)12(14,15)16/h3-5H,6-7H2,1-2H3
InChIKeyRZGHGKTVYOGCBU-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.28
Rot. Bonds4

About 2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide

2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide (PubChem CID 112698072) has the molecular formula C12H13F4NOS and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide
PubChem CID112698072
Molecular FormulaC12H13F4NOS
Molecular Weight295.30 g/mol
Exact Mass295.07
IUPAC Name2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide
SMILESCSCCN(C)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H13F4NOS/c1-17(6-7-19-2)11(18)8-4-3-5-9(10(8)13)12(14,15)16/h3-5H,6-7H2,1-2H3
InChIKeyRZGHGKTVYOGCBU-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]-methylamino]propanoate
CID 71683330
N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 79886002
2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883708
N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 113252164
2-fluoro-N-pentyl-3-(trifluoromethyl)-N-undecylbenzamide
CID 91731414
N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 112701403
2-fluoro-N-heptyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 91731393
2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112664377
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982
2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698063
2-fluoro-N,4-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698004
N-(3-bromopropyl)-2-fluoro-N-propan-2-yl-3-(trifluoromethyl)benzamide
CID 80656669

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide (CID 112698072) is 2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide is CSCCN(C)C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is RZGHGKTVYOGCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NOS/c1-17(6-7-19-2)11(18)8-4-3-5-9(10(8)13)12(14,15)16/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 295.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 112698072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).