2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide

C16H9F7N2O3 — CID 14721692

IUPAC2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)F)cc1F
InChIInChI=1S/C16H9F7N2O3/c17-8-2-1-3-9(18)12(8)13(26)25-15(27)24-11-5-4-7(6-10(11)19)28-16(22,23)14(20)21/h1-6,14H,(H2,24,25,26,27)
InChIKeyFIOZHYUMQMOMDK-UHFFFAOYSA-N
MW410.25 g/mol
LogP4.30
Rot. Bonds5

About 2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide

2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide (PubChem CID 14721692) has the molecular formula C16H9F7N2O3 and a molecular weight of 410.25 g/mol. Its IUPAC name is 2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide
PubChem CID14721692
Molecular FormulaC16H9F7N2O3
Molecular Weight410.25 g/mol
Exact Mass410.05
IUPAC Name2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)F)cc1F
InChIInChI=1S/C16H9F7N2O3/c17-8-2-1-3-9(18)12(8)13(26)25-15(27)24-11-5-4-7(6-10(11)19)28-16(22,23)14(20)21/h1-6,14H,(H2,24,25,26,27)
InChIKeyFIOZHYUMQMOMDK-UHFFFAOYSA-N
XLogP4.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.25
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide (CID 14721692) is 2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)F)cc1F.
What is the InChIKey of 2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide?
The InChIKey is FIOZHYUMQMOMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F7N2O3/c17-8-2-1-3-9(18)12(8)13(26)25-15(27)24-11-5-4-7(6-10(11)19)28-16(22,23)14(20)21/h1-6,14H,(H2,24,25,26,27).
What are the key properties of 2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide has a molecular weight of 410.25 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 14721692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).