2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide

C23H15F8N3O4 — CID 14626924

IUPAC2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1OC(c1ccc(OC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C23H15F8N3O4/c1-11-9-13(33-21(36)34-19(35)17-15(24)3-2-4-16(17)25)10-32-20(11)37-18(22(26,27)28)12-5-7-14(8-6-12)38-23(29,30)31/h2-10,18H,1H3,(H2,33,34,35,36)
InChIKeyJEZIDVYWKXAYJY-UHFFFAOYSA-N
MW549.37 g/mol
LogP6.21
Rot. Bonds6

About 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide

2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide (PubChem CID 14626924) has the molecular formula C23H15F8N3O4 and a molecular weight of 549.37 g/mol. Its IUPAC name is 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide
PubChem CID14626924
Molecular FormulaC23H15F8N3O4
Molecular Weight549.37 g/mol
Exact Mass549.09
IUPAC Name2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1OC(c1ccc(OC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C23H15F8N3O4/c1-11-9-13(33-21(36)34-19(35)17-15(24)3-2-4-16(17)25)10-32-20(11)37-18(22(26,27)28)12-5-7-14(8-6-12)38-23(29,30)31/h2-10,18H,1H3,(H2,33,34,35,36)
InChIKeyJEZIDVYWKXAYJY-UHFFFAOYSA-N
XLogP6.21
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.37
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide (CID 14626924) is 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)cnc1OC(c1ccc(OC(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide?
The InChIKey is JEZIDVYWKXAYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F8N3O4/c1-11-9-13(33-21(36)34-19(35)17-15(24)3-2-4-16(17)25)10-32-20(11)37-18(22(26,27)28)12-5-7-14(8-6-12)38-23(29,30)31/h2-10,18H,1H3,(H2,33,34,35,36).
What are the key properties of 2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide?
2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide has a molecular weight of 549.37 g/mol, XLogP of 6.21, 6 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-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 14626924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).