5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide

C19H14BrFN2O2 — CID 67107360

IUPAC5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(Br)ccc1OCc1cccc(F)c1
InChIInChI=1S/C19H14BrFN2O2/c20-14-6-7-18(25-12-13-3-1-4-15(21)9-13)17(10-14)19(24)23-16-5-2-8-22-11-16/h1-11H,12H2,(H,23,24)
InChIKeyKAXJGFOJBAKLNX-UHFFFAOYSA-N
MW401.24 g/mol
LogP4.81
Rot. Bonds5

About 5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide

5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 67107360) has the molecular formula C19H14BrFN2O2 and a molecular weight of 401.24 g/mol. Its IUPAC name is 5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
PubChem CID67107360
Molecular FormulaC19H14BrFN2O2
Molecular Weight401.24 g/mol
Exact Mass400.02
IUPAC Name5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(Br)ccc1OCc1cccc(F)c1
InChIInChI=1S/C19H14BrFN2O2/c20-14-6-7-18(25-12-13-3-1-4-15(21)9-13)17(10-14)19(24)23-16-5-2-8-22-11-16/h1-11H,12H2,(H,23,24)
InChIKeyKAXJGFOJBAKLNX-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide (CID 67107360) is 5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cc(Br)ccc1OCc1cccc(F)c1.
What is the InChIKey of 5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is KAXJGFOJBAKLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN2O2/c20-14-6-7-18(25-12-13-3-1-4-15(21)9-13)17(10-14)19(24)23-16-5-2-8-22-11-16/h1-11H,12H2,(H,23,24).
What are the key properties of 5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide?
5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 401.24 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 67107360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).