N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide

C16H11F3N2O2S — CID 55800264

IUPACN-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESN#CCOc1cccc(NC(=O)c2ccccc2SC(F)(F)F)c1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)24-14-7-2-1-6-13(14)15(22)21-11-4-3-5-12(10-11)23-9-8-20/h1-7,10H,9H2,(H,21,22)
InChIKeyBSNVLWQZGUCUBE-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.45
Rot. Bonds5

About N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide

N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 55800264) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide
PubChem CID55800264
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESN#CCOc1cccc(NC(=O)c2ccccc2SC(F)(F)F)c1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)24-14-7-2-1-6-13(14)15(22)21-11-4-3-5-12(10-11)23-9-8-20/h1-7,10H,9H2,(H,21,22)
InChIKeyBSNVLWQZGUCUBE-UHFFFAOYSA-N
XLogP4.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
CID 43175442
N-[4-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47847759
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
CID 43369133
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43805481
5-amino-2-bromo-N-[3-(cyanomethoxy)phenyl]benzamide
CID 115297134
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43708780

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide (CID 55800264) is N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide is N#CCOc1cccc(NC(=O)c2ccccc2SC(F)(F)F)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is BSNVLWQZGUCUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)24-14-7-2-1-6-13(14)15(22)21-11-4-3-5-12(10-11)23-9-8-20/h1-7,10H,9H2,(H,21,22).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide?
N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 352.34 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55800264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).