N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide

C16H15F2NOS — CID 34737714

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2SC(F)F)c(C)c1
InChIInChI=1S/C16H15F2NOS/c1-10-7-8-12(11(2)9-10)15(20)19-13-5-3-4-6-14(13)21-16(17)18/h3-9,16H,1-2H3,(H,19,20)
InChIKeyCBTHBHULOVNTEX-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.87
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide

N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide (PubChem CID 34737714) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
PubChem CID34737714
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2SC(F)F)c(C)c1
InChIInChI=1S/C16H15F2NOS/c1-10-7-8-12(11(2)9-10)15(20)19-13-5-3-4-6-14(13)21-16(17)18/h3-9,16H,1-2H3,(H,19,20)
InChIKeyCBTHBHULOVNTEX-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
CID 80710567
N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 103956330
N-[2-(difluoromethylsulfanyl)phenyl]-2-methoxybenzamide
CID 26181019
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
CID 16772806
5-amino-2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 28551481
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
CID 26180912
N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47321455
N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
CID 16549753
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26180986

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide (CID 34737714) is N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccccc2SC(F)F)c(C)c1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide?
The InChIKey is CBTHBHULOVNTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-10-7-8-12(11(2)9-10)15(20)19-13-5-3-4-6-14(13)21-16(17)18/h3-9,16H,1-2H3,(H,19,20).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide has a molecular weight of 307.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 34737714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).