2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide

C14H11F2NOS — CID 4802933

IUPAC2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C14H11F2NOS/c1-19-11-4-2-3-10(8-11)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyFDFPUBRBOWPSTJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.94
Rot. Bonds3

About 2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide

2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 4802933) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
PubChem CID4802933
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C14H11F2NOS/c1-19-11-4-2-3-10(8-11)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyFDFPUBRBOWPSTJ-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
2,4-difluoro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977353
5-amino-2-bromo-4-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 62816107
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
CID 7760043
3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide
CID 63186134
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide (CID 4802933) is 2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is FDFPUBRBOWPSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c1-19-11-4-2-3-10(8-11)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide?
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 279.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 4802933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).