5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide

C20H15Cl2FN2O3 — CID 71579695

IUPAC5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
SMILESC[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccccc2)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C20H15Cl2FN2O3/c1-11(17-15(21)7-8-16(23)18(17)22)28-13-9-14(19(26)24-10-13)20(27)25-12-5-3-2-4-6-12/h2-11H,1H3,(H,24,26)(H,25,27)/t11-/m1/s1
InChIKeyOUEBJJYTKIGEHU-LLVKDONJSA-N
MW421.26 g/mol
LogP5.21
Rot. Bonds5

About 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide

5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide (PubChem CID 71579695) has the molecular formula C20H15Cl2FN2O3 and a molecular weight of 421.26 g/mol. Its IUPAC name is 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
PubChem CID71579695
Molecular FormulaC20H15Cl2FN2O3
Molecular Weight421.26 g/mol
Exact Mass420.04
IUPAC Name5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
SMILESC[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccccc2)c1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C20H15Cl2FN2O3/c1-11(17-15(21)7-8-16(23)18(17)22)28-13-9-14(19(26)24-10-13)20(27)25-12-5-3-2-4-6-12/h2-11H,1H3,(H,24,26)(H,25,27)/t11-/m1/s1
InChIKeyOUEBJJYTKIGEHU-LLVKDONJSA-N
XLogP5.21
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.26
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide (CID 71579695) is 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide is C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccccc2)c1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is OUEBJJYTKIGEHU-LLVKDONJSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O3/c1-11(17-15(21)7-8-16(23)18(17)22)28-13-9-14(19(26)24-10-13)20(27)25-12-5-3-2-4-6-12/h2-11H,1H3,(H,24,26)(H,25,27)/t11-/m1/s1.
What are the key properties of 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide?
5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 421.26 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-oxo-N-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71579695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).