2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide

C12H16FNOS — CID 112698063

IUPAC2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C12H16FNOS/c1-9-4-5-11(13)10(8-9)12(15)14(2)6-7-16-3/h4-5,8H,6-7H2,1-3H3
InChIKeyWZRRNJYRZKNGHY-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.57
Rot. Bonds4

About 2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide

2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 112698063) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID112698063
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C12H16FNOS/c1-9-4-5-11(13)10(8-9)12(15)14(2)6-7-16-3/h4-5,8H,6-7H2,1-3H3
InChIKeyWZRRNJYRZKNGHY-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N,4-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698004
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112663383
2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 62511119
2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747382
4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide
CID 107034188
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
N-(2-bromo-3-methoxypropyl)-2-fluoro-N,5-dimethylbenzamide
CID 80671755
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
CID 60652527
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide (CID 112698063) is 2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide is CSCCN(C)C(=O)c1cc(C)ccc1F.
What is the InChIKey of 2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is WZRRNJYRZKNGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-9-4-5-11(13)10(8-9)12(15)14(2)6-7-16-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide?
2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 241.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 112698063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).