4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide

C23H16FN3O2 — CID 10172758

IUPAC4-fluoro-N-(3-pyridin-2-yl-5-pyridin-3-yloxyphenyl)benzamide
SMILESC1=CC=NC(=C1)C2=CC(=CC(=C2)OC3=CN=CC=C3)NC(=O)C4=CC=C(C=C4)F
InChIInChI=1S/C23H16FN3O2/c24-18-8-6-16(7-9-18)23(28)27-19-12-17(22-5-1-2-11-26-22)13-21(14-19)29-20-4-3-10-25-15-20/h1-15H,(H,27,28)
InChIKeyJIWOQJSUFBYTQZ-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.90
Rot. Bonds5

About 4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide

4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide (PubChem CID 10172758) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-fluoro-N-(3-pyridin-2-yl-5-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide
PubChem CID10172758
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Name4-fluoro-N-(3-pyridin-2-yl-5-pyridin-3-yloxyphenyl)benzamide
SMILESC1=CC=NC(=C1)C2=CC(=CC(=C2)OC3=CN=CC=C3)NC(=O)C4=CC=C(C=C4)F
InChIInChI=1S/C23H16FN3O2/c24-18-8-6-16(7-9-18)23(28)27-19-12-17(22-5-1-2-11-26-22)13-21(14-19)29-20-4-3-10-25-15-20/h1-15H,(H,27,28)
InChIKeyJIWOQJSUFBYTQZ-UHFFFAOYSA-N
XLogP3.90
TPSA64.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity526

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide?
The IUPAC name of 4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide (CID 10172758) is 4-fluoro-N-(3-pyridin-2-yl-5-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide?
The canonical SMILES for 4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide is C1=CC=NC(=C1)C2=CC(=CC(=C2)OC3=CN=CC=C3)NC(=O)C4=CC=C(C=C4)F.
What is the InChIKey of 4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide?
The InChIKey is JIWOQJSUFBYTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2/c24-18-8-6-16(7-9-18)23(28)27-19-12-17(22-5-1-2-11-26-22)13-21(14-19)29-20-4-3-10-25-15-20/h1-15H,(H,27,28).
What are the key properties of 4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide?
4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide has a molecular weight of 385.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide is sourced from PubChem (CID 10172758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).