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

C17H9F9N2O4 — CID 14823060

IUPAC2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1F
InChIInChI=1S/C17H9F9N2O4/c18-8-2-1-3-9(19)12(8)13(29)28-15(30)27-11-5-4-7(6-10(11)20)31-16(22,23)14(21)32-17(24,25)26/h1-6,14H,(H2,27,28,29,30)
InChIKeyBYBJTHXPZQODEF-UHFFFAOYSA-N
MW476.25 g/mol
LogP4.87
Rot. Bonds6

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

2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide (PubChem CID 14823060) has the molecular formula C17H9F9N2O4 and a molecular weight of 476.25 g/mol. Its IUPAC name is 2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide
PubChem CID14823060
Molecular FormulaC17H9F9N2O4
Molecular Weight476.25 g/mol
Exact Mass476.04
IUPAC Name2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1F
InChIInChI=1S/C17H9F9N2O4/c18-8-2-1-3-9(19)12(8)13(29)28-15(30)27-11-5-4-7(6-10(11)20)31-16(22,23)14(21)32-17(24,25)26/h1-6,14H,(H2,27,28,29,30)
InChIKeyBYBJTHXPZQODEF-UHFFFAOYSA-N
XLogP4.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.25
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-3-[2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]urea
CID 150474316
2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
CID 15592636
2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034853
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide
CID 19873185
2,6-difluoro-N-[[2-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034891
2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034816
2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
CID 69401733
3,5-difluoro-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]pyridine-4-carboxamide
CID 21325121
N-[[2,5-dichloro-4-(1,1,2,2,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 22261259
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide
CID 89130553
2,6-difluoro-N-[(2-fluoro-4-prop-2-ynylsulfanylphenyl)carbamoyl]benzamide
CID 87813330

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide (CID 14823060) is 2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1F.
What is the InChIKey of 2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide?
The InChIKey is BYBJTHXPZQODEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F9N2O4/c18-8-2-1-3-9(19)12(8)13(29)28-15(30)27-11-5-4-7(6-10(11)20)31-16(22,23)14(21)32-17(24,25)26/h1-6,14H,(H2,27,28,29,30).
What are the key properties of 2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide has a molecular weight of 476.25 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 14823060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).