N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

C22H14ClFN4O2 — CID 58396228

IUPACN-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(Oc2ncccc2-c2ccncn2)c1
InChIInChI=1S/C22H14ClFN4O2/c23-18-12-15(6-7-19(18)24)28-21(29)14-3-1-4-16(11-14)30-22-17(5-2-9-26-22)20-8-10-25-13-27-20/h1-13H,(H,28,29)
InChIKeyMEAASPDHCSMHTQ-UHFFFAOYSA-N
MW420.83 g/mol
LogP5.38
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (PubChem CID 58396228) has the molecular formula C22H14ClFN4O2 and a molecular weight of 420.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
PubChem CID58396228
Molecular FormulaC22H14ClFN4O2
Molecular Weight420.83 g/mol
Exact Mass420.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(Oc2ncccc2-c2ccncn2)c1
InChIInChI=1S/C22H14ClFN4O2/c23-18-12-15(6-7-19(18)24)28-21(29)14-3-1-4-16(11-14)30-22-17(5-2-9-26-22)20-8-10-25-13-27-20/h1-13H,(H,28,29)
InChIKeyMEAASPDHCSMHTQ-UHFFFAOYSA-N
XLogP5.38
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.83
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (CID 58396228) is N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Oc2ncccc2-c2ccncn2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
The InChIKey is MEAASPDHCSMHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN4O2/c23-18-12-15(6-7-19(18)24)28-21(29)14-3-1-4-16(11-14)30-22-17(5-2-9-26-22)20-8-10-25-13-27-20/h1-13H,(H,28,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?
N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide has a molecular weight of 420.83 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 58396228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).