3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide

C19H15FN2O2 — CID 39953684

IUPAC3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C19H15FN2O2/c20-16-6-4-14(5-7-16)13-24-18-3-1-2-15(12-18)19(23)22-17-8-10-21-11-9-17/h1-12H,13H2,(H,21,22,23)
InChIKeyIIEGLNRQGISJKQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.05
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide

3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide (PubChem CID 39953684) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide
PubChem CID39953684
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C19H15FN2O2/c20-16-6-4-14(5-7-16)13-24-18-3-1-2-15(12-18)19(23)22-17-8-10-21-11-9-17/h1-12H,13H2,(H,21,22,23)
InChIKeyIIEGLNRQGISJKQ-UHFFFAOYSA-N
XLogP4.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide (CID 39953684) is 3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide?
The InChIKey is IIEGLNRQGISJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-16-6-4-14(5-7-16)13-24-18-3-1-2-15(12-18)19(23)22-17-8-10-21-11-9-17/h1-12H,13H2,(H,21,22,23).
What are the key properties of 3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide?
3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide has a molecular weight of 322.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 39953684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).