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

C23H14ClF2N3O2 — CID 45274145

IUPACN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(Oc3ccccn3)ccc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C23H14ClF2N3O2/c24-17-9-8-15(31-21-6-1-2-11-27-21)12-16(17)14-7-10-20(28-13-14)29-23(30)22-18(25)4-3-5-19(22)26/h1-13H,(H,28,29,30)
InChIKeyUOOBTQFJZJTPBJ-UHFFFAOYSA-N
MW437.83 g/mol
LogP6.12
Rot. Bonds5

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

N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 45274145) has the molecular formula C23H14ClF2N3O2 and a molecular weight of 437.83 g/mol. Its IUPAC name is N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID45274145
Molecular FormulaC23H14ClF2N3O2
Molecular Weight437.83 g/mol
Exact Mass437.07
IUPAC NameN-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(Oc3ccccn3)ccc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C23H14ClF2N3O2/c24-17-9-8-15(31-21-6-1-2-11-27-21)12-16(17)14-7-10-20(28-13-14)29-23(30)22-18(25)4-3-5-19(22)26/h1-13H,(H,28,29,30)
InChIKeyUOOBTQFJZJTPBJ-UHFFFAOYSA-N
XLogP6.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.83
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide (CID 45274145) is N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide is O=C(Nc1ccc(-c2cc(Oc3ccccn3)ccc2Cl)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is UOOBTQFJZJTPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF2N3O2/c24-17-9-8-15(31-21-6-1-2-11-27-21)12-16(17)14-7-10-20(28-13-14)29-23(30)22-18(25)4-3-5-19(22)26/h1-13H,(H,28,29,30).
What are the key properties of N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide?
N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 437.83 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-pyridin-2-yloxyphenyl)-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 45274145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).