N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C20H10F8N2O2 — CID 2727244

IUPACN-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H10F8N2O2/c21-11-4-5-15(14(22)9-11)30-17(31)16-13(20(26,27)28)6-7-29-18(16)32-12-3-1-2-10(8-12)19(23,24)25/h1-9H,(H,30,31)
InChIKeyTZDSTPOVVAHBJZ-UHFFFAOYSA-N
MW462.30 g/mol
LogP6.44
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 2727244) has the molecular formula C20H10F8N2O2 and a molecular weight of 462.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
PubChem CID2727244
Molecular FormulaC20H10F8N2O2
Molecular Weight462.30 g/mol
Exact Mass462.06
IUPAC NameN-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H10F8N2O2/c21-11-4-5-15(14(22)9-11)30-17(31)16-13(20(26,27)28)6-7-29-18(16)32-12-3-1-2-10(8-12)19(23,24)25/h1-9H,(H,30,31)
InChIKeyTZDSTPOVVAHBJZ-UHFFFAOYSA-N
XLogP6.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.30
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 2727244) is N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is TZDSTPOVVAHBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F8N2O2/c21-11-4-5-15(14(22)9-11)30-17(31)16-13(20(26,27)28)6-7-29-18(16)32-12-3-1-2-10(8-12)19(23,24)25/h1-9H,(H,30,31).
What are the key properties of N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 462.30 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 2727244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).