4-fluoro-N-pyridin-3-ylbenzamide

C12H9FN2O — CID 1118253

IUPAC4-fluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C12H9FN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16)
InChIKeyAILCVPMYLXWTCO-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.47
Rot. Bonds2

About 4-fluoro-N-pyridin-3-ylbenzamide

4-fluoro-N-pyridin-3-ylbenzamide (PubChem CID 1118253) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 4-fluoro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-pyridin-3-ylbenzamide
PubChem CID1118253
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name4-fluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C12H9FN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16)
InChIKeyAILCVPMYLXWTCO-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-fluoro-N-pyridin-3-ylbenzamide (CID 1118253) is 4-fluoro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-fluoro-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-pyridin-3-ylbenzamide?
The InChIKey is AILCVPMYLXWTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16).
What are the key properties of 4-fluoro-N-pyridin-3-ylbenzamide?
4-fluoro-N-pyridin-3-ylbenzamide has a molecular weight of 216.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1118253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).