N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide

C25H20FN3O2 — CID 53119869

IUPACN-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESCCc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)cc1
InChIInChI=1S/C25H20FN3O2/c1-2-17-6-10-21(11-7-17)28-25(30)18-8-12-22(13-9-18)31-23-14-15-27-24(29-23)19-4-3-5-20(26)16-19/h3-16H,2H2,1H3,(H,28,30)
InChIKeyVINVRIWTHWDVIT-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.89
Rot. Bonds6

About N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide

N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 53119869) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID53119869
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC NameN-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESCCc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)cc1
InChIInChI=1S/C25H20FN3O2/c1-2-17-6-10-21(11-7-17)28-25(30)18-8-12-22(13-9-18)31-23-14-15-27-24(29-23)19-4-3-5-20(26)16-19/h3-16H,2H2,1H3,(H,28,30)
InChIKeyVINVRIWTHWDVIT-UHFFFAOYSA-N
XLogP5.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide (CID 53119869) is N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide is CCc1ccc(NC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is VINVRIWTHWDVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c1-2-17-6-10-21(11-7-17)28-25(30)18-8-12-22(13-9-18)31-23-14-15-27-24(29-23)19-4-3-5-20(26)16-19/h3-16H,2H2,1H3,(H,28,30).
What are the key properties of N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide has a molecular weight of 413.45 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-[2-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 53119869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).