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

C19H10ClF5N2O2 — CID 2727242

IUPAC2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C19H10ClF5N2O2/c20-10-1-4-12(5-2-10)29-18-16(13(7-8-26-18)19(23,24)25)17(28)27-15-6-3-11(21)9-14(15)22/h1-9H,(H,27,28)
InChIKeyIPYBHJWUFKCXRO-UHFFFAOYSA-N
MW428.74 g/mol
LogP6.08
Rot. Bonds4

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

2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727242) has the molecular formula C19H10ClF5N2O2 and a molecular weight of 428.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727242
Molecular FormulaC19H10ClF5N2O2
Molecular Weight428.74 g/mol
Exact Mass428.04
IUPAC Name2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C19H10ClF5N2O2/c20-10-1-4-12(5-2-10)29-18-16(13(7-8-26-18)19(23,24)25)17(28)27-15-6-3-11(21)9-14(15)22/h1-9H,(H,27,28)
InChIKeyIPYBHJWUFKCXRO-UHFFFAOYSA-N
XLogP6.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727242) is 2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)ccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IPYBHJWUFKCXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF5N2O2/c20-10-1-4-12(5-2-10)29-18-16(13(7-8-26-18)19(23,24)25)17(28)27-15-6-3-11(21)9-14(15)22/h1-9H,(H,27,28).
What are the key properties of 2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 428.74 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).