2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide

C24H14F9N3O4 — CID 14626957

IUPAC2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1OC(c1ccc2c(c1)C(F)(F)C(F)(F)O2)C(F)(F)F
InChIInChI=1S/C24H14F9N3O4/c1-10-7-12(35-21(38)36-19(37)17-14(25)3-2-4-15(17)26)9-34-20(10)39-18(23(29,30)31)11-5-6-16-13(8-11)22(27,28)24(32,33)40-16/h2-9,18H,1H3,(H2,35,36,37,38)
InChIKeyWDQDMFCTYSFIDZ-UHFFFAOYSA-N
MW579.38 g/mol
LogP6.39
Rot. Bonds5

About 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide

2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide (PubChem CID 14626957) has the molecular formula C24H14F9N3O4 and a molecular weight of 579.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide
PubChem CID14626957
Molecular FormulaC24H14F9N3O4
Molecular Weight579.38 g/mol
Exact Mass579.08
IUPAC Name2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1OC(c1ccc2c(c1)C(F)(F)C(F)(F)O2)C(F)(F)F
InChIInChI=1S/C24H14F9N3O4/c1-10-7-12(35-21(38)36-19(37)17-14(25)3-2-4-15(17)26)9-34-20(10)39-18(23(29,30)31)11-5-6-16-13(8-11)22(27,28)24(32,33)40-16/h2-9,18H,1H3,(H2,35,36,37,38)
InChIKeyWDQDMFCTYSFIDZ-UHFFFAOYSA-N
XLogP6.39
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.38
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide (CID 14626957) is 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1OC(c1ccc2c(c1)C(F)(F)C(F)(F)O2)C(F)(F)F.
What is the InChIKey of 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide?
The InChIKey is WDQDMFCTYSFIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F9N3O4/c1-10-7-12(35-21(38)36-19(37)17-14(25)3-2-4-15(17)26)9-34-20(10)39-18(23(29,30)31)11-5-6-16-13(8-11)22(27,28)24(32,33)40-16/h2-9,18H,1H3,(H2,35,36,37,38).
What are the key properties of 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide?
2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide has a molecular weight of 579.38 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 14626957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).