4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide

C17H12FN3O2 — CID 71799765

IUPAC4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O2/c18-13-8-6-12(7-9-13)16(22)21-14-10-19-17(20-11-14)23-15-4-2-1-3-5-15/h1-11H,(H,21,22)
InChIKeyXLMIUZGERCIENP-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.66
Rot. Bonds4

About 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide

4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide (PubChem CID 71799765) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide
PubChem CID71799765
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O2/c18-13-8-6-12(7-9-13)16(22)21-14-10-19-17(20-11-14)23-15-4-2-1-3-5-15/h1-11H,(H,21,22)
InChIKeyXLMIUZGERCIENP-UHFFFAOYSA-N
XLogP3.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide (CID 71799765) is 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide is O=C(Nc1cnc(Oc2ccccc2)nc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide?
The InChIKey is XLMIUZGERCIENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-13-8-6-12(7-9-13)16(22)21-14-10-19-17(20-11-14)23-15-4-2-1-3-5-15/h1-11H,(H,21,22).
What are the key properties of 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide?
4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide has a molecular weight of 309.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-phenoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 71799765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).