2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide

C22H16F5N3O3 — CID 14626911

IUPAC2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H16F5N3O3/c1-12-10-14(29-21(32)30-19(31)17-15(23)8-5-9-16(17)24)11-28-20(12)33-18(22(25,26)27)13-6-3-2-4-7-13/h2-11,18H,1H3,(H2,29,30,31,32)
InChIKeyTYMLPLVLLZEJFE-UHFFFAOYSA-N
MW465.38 g/mol
LogP5.31
Rot. Bonds5

About 2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide

2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide (PubChem CID 14626911) has the molecular formula C22H16F5N3O3 and a molecular weight of 465.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide
PubChem CID14626911
Molecular FormulaC22H16F5N3O3
Molecular Weight465.38 g/mol
Exact Mass465.11
IUPAC Name2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H16F5N3O3/c1-12-10-14(29-21(32)30-19(31)17-15(23)8-5-9-16(17)24)11-28-20(12)33-18(22(25,26)27)13-6-3-2-4-7-13/h2-11,18H,1H3,(H2,29,30,31,32)
InChIKeyTYMLPLVLLZEJFE-UHFFFAOYSA-N
XLogP5.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.38
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide (CID 14626911) is 2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1OC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide?
The InChIKey is TYMLPLVLLZEJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5N3O3/c1-12-10-14(29-21(32)30-19(31)17-15(23)8-5-9-16(17)24)11-28-20(12)33-18(22(25,26)27)13-6-3-2-4-7-13/h2-11,18H,1H3,(H2,29,30,31,32).
What are the key properties of 2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide?
2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide has a molecular weight of 465.38 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[5-methyl-6-(2,2,2-trifluoro-1-phenylethoxy)-3-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 14626911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).