2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide

C17H18FNOS — CID 62512005

IUPAC2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc(C(C)NC(=O)c2cc(C)ccc2F)cc1
InChIInChI=1S/C17H18FNOS/c1-11-4-9-16(18)15(10-11)17(20)19-12(2)13-5-7-14(21-3)8-6-13/h4-10,12H,1-3H3,(H,19,20)
InChIKeyBEONZLIYHZIYIO-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.35
Rot. Bonds4

About 2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide

2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide (PubChem CID 62512005) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
PubChem CID62512005
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc(C(C)NC(=O)c2cc(C)ccc2F)cc1
InChIInChI=1S/C17H18FNOS/c1-11-4-9-16(18)15(10-11)17(20)19-12(2)13-5-7-14(21-3)8-6-13/h4-10,12H,1-3H3,(H,19,20)
InChIKeyBEONZLIYHZIYIO-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
CID 53374350
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62513333
2,4-dichloro-5-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46436682
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 34483278
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898
N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 62513143

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide (CID 62512005) is 2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide is CSc1ccc(C(C)NC(=O)c2cc(C)ccc2F)cc1.
What is the InChIKey of 2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
The InChIKey is BEONZLIYHZIYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-11-4-9-16(18)15(10-11)17(20)19-12(2)13-5-7-14(21-3)8-6-13/h4-10,12H,1-3H3,(H,19,20).
What are the key properties of 2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide?
2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide has a molecular weight of 303.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide is sourced from PubChem (CID 62512005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).