2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide

C14H11F2NOS — CID 42370376

IUPAC2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C14H11F2NOS/c1-19-11-5-3-10(4-6-11)17-14(18)12-8-9(15)2-7-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyWDBXOMDMBACNJF-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.94
Rot. Bonds3

About 2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide

2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 42370376) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
PubChem CID42370376
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C14H11F2NOS/c1-19-11-5-3-10(4-6-11)17-14(18)12-8-9(15)2-7-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyWDBXOMDMBACNJF-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

2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
CID 114299996
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide
CID 108742551
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide (CID 42370376) is 2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide is CSc1ccc(NC(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is WDBXOMDMBACNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c1-19-11-5-3-10(4-6-11)17-14(18)12-8-9(15)2-7-13(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide?
2,5-difluoro-N-(4-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 2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 42370376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).