N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide

C22H13ClF2N4O2 — CID 45274039

IUPACN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cnc(-c2cc(Oc3ccccn3)ccc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C22H13ClF2N4O2/c23-15-8-7-13(31-20-6-1-2-9-26-20)10-14(15)18-11-28-19(12-27-18)29-22(30)21-16(24)4-3-5-17(21)25/h1-12H,(H,28,29,30)
InChIKeyNHCDCWOPKPVLCP-UHFFFAOYSA-N
MW438.82 g/mol
LogP5.51
Rot. Bonds5

About N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 45274039) has the molecular formula C22H13ClF2N4O2 and a molecular weight of 438.82 g/mol. Its IUPAC name is N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID45274039
Molecular FormulaC22H13ClF2N4O2
Molecular Weight438.82 g/mol
Exact Mass438.07
IUPAC NameN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cnc(-c2cc(Oc3ccccn3)ccc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C22H13ClF2N4O2/c23-15-8-7-13(31-20-6-1-2-9-26-20)10-14(15)18-11-28-19(12-27-18)29-22(30)21-16(24)4-3-5-17(21)25/h1-12H,(H,28,29,30)
InChIKeyNHCDCWOPKPVLCP-UHFFFAOYSA-N
XLogP5.51
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.82
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide 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-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide (CID 45274039) is N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide is O=C(Nc1cnc(-c2cc(Oc3ccccn3)ccc2Cl)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is NHCDCWOPKPVLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF2N4O2/c23-15-8-7-13(31-20-6-1-2-9-26-20)10-14(15)18-11-28-19(12-27-18)29-22(30)21-16(24)4-3-5-17(21)25/h1-12H,(H,28,29,30).
What are the key properties of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 438.82 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 45274039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).