4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide

C16H14F3NOS — CID 24617681

IUPAC4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(SC(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14F3NOS/c1-10(11-2-6-13(17)7-3-11)20-15(21)12-4-8-14(9-5-12)22-16(18)19/h2-10,16H,1H3,(H,20,21)
InChIKeyFBNYMEXFYFPPKK-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.63
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide

4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 24617681) has the molecular formula C16H14F3NOS and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
PubChem CID24617681
Molecular FormulaC16H14F3NOS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(SC(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14F3NOS/c1-10(11-2-6-13(17)7-3-11)20-15(21)12-4-8-14(9-5-12)22-16(18)19/h2-10,16H,1H3,(H,20,21)
InChIKeyFBNYMEXFYFPPKK-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
2-[[4-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 119225433
4-(difluoromethylsulfanyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]benzamide
CID 55580358
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
CID 175156198
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 119221139
4-(difluoromethylsulfanyl)-N-(5-methylhexan-2-yl)benzamide
CID 134055978
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide (CID 24617681) is 4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(SC(F)F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is FBNYMEXFYFPPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS/c1-10(11-2-6-13(17)7-3-11)20-15(21)12-4-8-14(9-5-12)22-16(18)19/h2-10,16H,1H3,(H,20,21).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide?
4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 325.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 24617681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).