2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide

C19H16FN3O2 — CID 142719303

IUPAC2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide
SMILESCc1ccc(COc2ncc(F)c(-c3ccccc3C(N)=O)n2)cc1
InChIInChI=1S/C19H16FN3O2/c1-12-6-8-13(9-7-12)11-25-19-22-10-16(20)17(23-19)14-4-2-3-5-15(14)18(21)24/h2-10H,11H2,1H3,(H2,21,24)
InChIKeyXTMOMNCLLZFVHU-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.27
Rot. Bonds5

About 2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide

2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide (PubChem CID 142719303) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide
PubChem CID142719303
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide
SMILESCc1ccc(COc2ncc(F)c(-c3ccccc3C(N)=O)n2)cc1
InChIInChI=1S/C19H16FN3O2/c1-12-6-8-13(9-7-12)11-25-19-22-10-16(20)17(23-19)14-4-2-3-5-15(14)18(21)24/h2-10H,11H2,1H3,(H2,21,24)
InChIKeyXTMOMNCLLZFVHU-UHFFFAOYSA-N
XLogP3.27
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide?
The IUPAC name of 2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide (CID 142719303) is 2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide?
The canonical SMILES for 2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide is Cc1ccc(COc2ncc(F)c(-c3ccccc3C(N)=O)n2)cc1.
What is the InChIKey of 2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide?
The InChIKey is XTMOMNCLLZFVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-6-8-13(9-7-12)11-25-19-22-10-16(20)17(23-19)14-4-2-3-5-15(14)18(21)24/h2-10H,11H2,1H3,(H2,21,24).
What are the key properties of 2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide?
2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide has a molecular weight of 337.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 142719303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).