3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide

C22H19FN2O2S — CID 175477288

IUPAC3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2F)c(C)c1
InChIInChI=1S/C22H19FN2O2S/c1-14-13-16(28-2)11-12-18(14)24-22(27)17-9-6-10-19(20(17)23)25-21(26)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,24,27)(H,25,26)
InChIKeyVDOJOVIWBMJXOS-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.36
Rot. Bonds5

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

3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide (PubChem CID 175477288) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide
PubChem CID175477288
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2F)c(C)c1
InChIInChI=1S/C22H19FN2O2S/c1-14-13-16(28-2)11-12-18(14)24-22(27)17-9-6-10-19(20(17)23)25-21(26)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,24,27)(H,25,26)
InChIKeyVDOJOVIWBMJXOS-UHFFFAOYSA-N
XLogP5.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide (CID 175477288) is 3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide is CSc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2F)c(C)c1.
What is the InChIKey of 3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide?
The InChIKey is VDOJOVIWBMJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-14-13-16(28-2)11-12-18(14)24-22(27)17-9-6-10-19(20(17)23)25-21(26)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide?
3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide has a molecular weight of 394.47 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-2-fluoro-N-(2-methyl-4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 175477288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).