2-fluoro-5-(3-methylsulfanylpropylamino)benzamide

C11H15FN2OS — CID 43705135

IUPAC2-fluoro-5-(3-methylsulfanylpropylamino)benzamide
SMILESCSCCCNc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H15FN2OS/c1-16-6-2-5-14-8-3-4-10(12)9(7-8)11(13)15/h3-4,7,14H,2,5-6H2,1H3,(H2,13,15)
InChIKeyYICXTQQVOPHROA-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.09
Rot. Bonds6

About 2-fluoro-5-(3-methylsulfanylpropylamino)benzamide

2-fluoro-5-(3-methylsulfanylpropylamino)benzamide (PubChem CID 43705135) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-fluoro-5-(3-methylsulfanylpropylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(3-methylsulfanylpropylamino)benzamide
PubChem CID43705135
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name2-fluoro-5-(3-methylsulfanylpropylamino)benzamide
SMILESCSCCCNc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H15FN2OS/c1-16-6-2-5-14-8-3-4-10(12)9(7-8)11(13)15/h3-4,7,14H,2,5-6H2,1H3,(H2,13,15)
InChIKeyYICXTQQVOPHROA-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylsulfanylbutylamino)benzamide
CID 103087176
2-chloro-4-(3-methylsulfanylpropylamino)benzoic acid
CID 63963389
2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide
CID 114270471
4-fluoro-N-(3-methylsulfanylpropyl)-3-nitroaniline
CID 43719223
3-bromo-4-fluoro-N-(4-methylsulfanylbutyl)aniline
CID 103088379
4-(3-methylsulfanylpropylamino)-2-(trifluoromethyl)benzoic acid
CID 63963605
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
2-chloro-N-methyl-5-(4-methylsulfanylbutylamino)benzamide
CID 103087825
2-fluoro-5-(propylcarbamoylamino)benzamide
CID 47203145
1-[2-amino-5-(2-methylsulfanylethylamino)phenyl]ethanone
CID 104612845
5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-methylsulfanylpropylamino)benzamide?
The IUPAC name of 2-fluoro-5-(3-methylsulfanylpropylamino)benzamide (CID 43705135) is 2-fluoro-5-(3-methylsulfanylpropylamino)benzamide.
What is the SMILES notation for 2-fluoro-5-(3-methylsulfanylpropylamino)benzamide?
The canonical SMILES for 2-fluoro-5-(3-methylsulfanylpropylamino)benzamide is CSCCCNc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 2-fluoro-5-(3-methylsulfanylpropylamino)benzamide?
The InChIKey is YICXTQQVOPHROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-16-6-2-5-14-8-3-4-10(12)9(7-8)11(13)15/h3-4,7,14H,2,5-6H2,1H3,(H2,13,15).
What are the key properties of 2-fluoro-5-(3-methylsulfanylpropylamino)benzamide?
2-fluoro-5-(3-methylsulfanylpropylamino)benzamide has a molecular weight of 242.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-methylsulfanylpropylamino)benzamide is sourced from PubChem (CID 43705135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).