2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide

C18H11Cl2FN2O2 — CID 12849356

IUPAC2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H11Cl2FN2O2/c19-15-8-7-13(10-16(15)20)25-18-14(2-1-9-22-18)17(24)23-12-5-3-11(21)4-6-12/h1-10H,(H,23,24)
InChIKeySXYGIBGZIRFEFM-UHFFFAOYSA-N
MW377.20 g/mol
LogP5.57
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide

2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 12849356) has the molecular formula C18H11Cl2FN2O2 and a molecular weight of 377.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID12849356
Molecular FormulaC18H11Cl2FN2O2
Molecular Weight377.20 g/mol
Exact Mass376.02
IUPAC Name2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H11Cl2FN2O2/c19-15-8-7-13(10-16(15)20)25-18-14(2-1-9-22-18)17(24)23-12-5-3-11(21)4-6-12/h1-10H,(H,23,24)
InChIKeySXYGIBGZIRFEFM-UHFFFAOYSA-N
XLogP5.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.20
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 12849356) is 2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cccnc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is SXYGIBGZIRFEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2FN2O2/c19-15-8-7-13(10-16(15)20)25-18-14(2-1-9-22-18)17(24)23-12-5-3-11(21)4-6-12/h1-10H,(H,23,24).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide?
2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 377.20 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 12849356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).