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

C14H11F2NOS — CID 9153618

IUPAC3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H11F2NOS/c1-19-11-5-3-10(4-6-11)17-14(18)9-2-7-12(15)13(16)8-9/h2-8H,1H3,(H,17,18)
InChIKeyPYURSTJRVYNHDB-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.94
Rot. Bonds3

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

3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 9153618) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
PubChem CID9153618
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H11F2NOS/c1-19-11-5-3-10(4-6-11)17-14(18)9-2-7-12(15)13(16)8-9/h2-8H,1H3,(H,17,18)
InChIKeyPYURSTJRVYNHDB-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-3-fluoro-N-(4-methylsulfanylphenyl)benzamide
CID 47421930
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
CID 113245194
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778734
3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
CID 112985224

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide (CID 9153618) is 3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide is CSc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is PYURSTJRVYNHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c1-19-11-5-3-10(4-6-11)17-14(18)9-2-7-12(15)13(16)8-9/h2-8H,1H3,(H,17,18).
What are the key properties of 3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide?
3,4-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 3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 9153618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).