3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide

C14H8F5NO2 — CID 172648842

IUPAC3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1cc(F)c(F)c(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C14H8F5NO2/c15-10-6-7(13(20)21)5-9(12(10)16)8-3-1-2-4-11(8)22-14(17,18)19/h1-6H,(H2,20,21)
InChIKeyGACYFIGXMMNWTE-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.63
Rot. Bonds3

About 3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide

3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 172648842) has the molecular formula C14H8F5NO2 and a molecular weight of 317.21 g/mol. Its IUPAC name is 3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID172648842
Molecular FormulaC14H8F5NO2
Molecular Weight317.21 g/mol
Exact Mass317.05
IUPAC Name3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1cc(F)c(F)c(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C14H8F5NO2/c15-10-6-7(13(20)21)5-9(12(10)16)8-3-1-2-4-11(8)22-14(17,18)19/h1-6H,(H2,20,21)
InChIKeyGACYFIGXMMNWTE-UHFFFAOYSA-N
XLogP3.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide (CID 172648842) is 3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide is NC(=O)c1cc(F)c(F)c(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is GACYFIGXMMNWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO2/c15-10-6-7(13(20)21)5-9(12(10)16)8-3-1-2-4-11(8)22-14(17,18)19/h1-6H,(H2,20,21).
What are the key properties of 3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide?
3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 317.21 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 172648842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).