3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide

C15H15FN2OS — CID 61117051

IUPAC3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C15H15FN2OS/c1-9-11(16)7-10(8-12(9)17)15(19)18-13-5-3-4-6-14(13)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyCRPVVJHEOAVOBR-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.69
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide

3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 61117051) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
PubChem CID61117051
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C15H15FN2OS/c1-9-11(16)7-10(8-12(9)17)15(19)18-13-5-3-4-6-14(13)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyCRPVVJHEOAVOBR-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 60861854
3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
CID 79769032
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029
3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 107872334
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117271
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
3-amino-5-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 78985049
3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 116812510

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide (CID 61117051) is 3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is CRPVVJHEOAVOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-9-11(16)7-10(8-12(9)17)15(19)18-13-5-3-4-6-14(13)20-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 290.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 61117051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).