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

C19H11F5N2O2 — CID 2727241

IUPACN-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1ccccc1
InChIInChI=1S/C19H11F5N2O2/c20-11-6-7-15(14(21)10-11)26-17(27)16-13(19(22,23)24)8-9-25-18(16)28-12-4-2-1-3-5-12/h1-10H,(H,26,27)
InChIKeyFMUXDGGOHZRYSN-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.42
Rot. Bonds4

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

N-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727241) has the molecular formula C19H11F5N2O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727241
Molecular FormulaC19H11F5N2O2
Molecular Weight394.30 g/mol
Exact Mass394.07
IUPAC NameN-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1ccccc1
InChIInChI=1S/C19H11F5N2O2/c20-11-6-7-15(14(21)10-11)26-17(27)16-13(19(22,23)24)8-9-25-18(16)28-12-4-2-1-3-5-12/h1-10H,(H,26,27)
InChIKeyFMUXDGGOHZRYSN-UHFFFAOYSA-N
XLogP5.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 55.42
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)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727241) is N-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1ccccc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FMUXDGGOHZRYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N2O2/c20-11-6-7-15(14(21)10-11)26-17(27)16-13(19(22,23)24)8-9-25-18(16)28-12-4-2-1-3-5-12/h1-10H,(H,26,27).
What are the key properties of N-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 5.42, 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)-2-phenoxy-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).