4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide

C25H19FN2O2 — CID 118735164

IUPAC4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2cccnc2)c(OCc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C25H19FN2O2/c26-21-10-8-19(9-11-21)25(29)28-22-12-13-23(20-7-4-14-27-16-20)24(15-22)30-17-18-5-2-1-3-6-18/h1-16H,17H2,(H,28,29)
InChIKeyRANNUJSIKAGERM-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.72
Rot. Bonds6

About 4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide

4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide (PubChem CID 118735164) has the molecular formula C25H19FN2O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide
PubChem CID118735164
Molecular FormulaC25H19FN2O2
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC Name4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2cccnc2)c(OCc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C25H19FN2O2/c26-21-10-8-19(9-11-21)25(29)28-22-12-13-23(20-7-4-14-27-16-20)24(15-22)30-17-18-5-2-1-3-6-18/h1-16H,17H2,(H,28,29)
InChIKeyRANNUJSIKAGERM-UHFFFAOYSA-N
XLogP5.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide (CID 118735164) is 4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide is O=C(Nc1ccc(-c2cccnc2)c(OCc2ccccc2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide?
The InChIKey is RANNUJSIKAGERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O2/c26-21-10-8-19(9-11-21)25(29)28-22-12-13-23(20-7-4-14-27-16-20)24(15-22)30-17-18-5-2-1-3-6-18/h1-16H,17H2,(H,28,29).
What are the key properties of 4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide?
4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide has a molecular weight of 398.44 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-phenylmethoxy-4-pyridin-3-ylphenyl)benzamide is sourced from PubChem (CID 118735164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).