2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide

C12H16FNO2S — CID 103747382

IUPAC2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CCSC)c(F)c1
InChIInChI=1S/C12H16FNO2S/c1-14(6-7-17-3)12(15)10-5-4-9(16-2)8-11(10)13/h4-5,8H,6-7H2,1-3H3
InChIKeyJSCAGUDKYHNLLH-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.27
Rot. Bonds5

About 2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide

2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 103747382) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID103747382
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CCSC)c(F)c1
InChIInChI=1S/C12H16FNO2S/c1-14(6-7-17-3)12(15)10-5-4-9(16-2)8-11(10)13/h4-5,8H,6-7H2,1-3H3
InChIKeyJSCAGUDKYHNLLH-UHFFFAOYSA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N,4-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698004
N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885366
N-(2-bromo-3-methoxypropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885157
2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide
CID 113234175
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
2-bromo-5-methoxy-N-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 114217626
2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698063
2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113218973
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 55379395
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide (CID 103747382) is 2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide is COc1ccc(C(=O)N(C)CCSC)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is JSCAGUDKYHNLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-14(6-7-17-3)12(15)10-5-4-9(16-2)8-11(10)13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 103747382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).