4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide

C18H12F3N3O2 — CID 56724078

IUPAC4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)14-4-1-2-5-15(14)24-16(25)12-6-8-13(9-7-12)26-17-22-10-3-11-23-17/h1-11H,(H,24,25)
InChIKeyGHUWCXGPBWDEQN-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.54
Rot. Bonds4

About 4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide

4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 56724078) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID56724078
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)14-4-1-2-5-15(14)24-16(25)12-6-8-13(9-7-12)26-17-22-10-3-11-23-17/h1-11H,(H,24,25)
InChIKeyGHUWCXGPBWDEQN-UHFFFAOYSA-N
XLogP4.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide (CID 56724078) is 4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GHUWCXGPBWDEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-18(20,21)14-4-1-2-5-15(14)24-16(25)12-6-8-13(9-7-12)26-17-22-10-3-11-23-17/h1-11H,(H,24,25).
What are the key properties of 4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide?
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 359.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 56724078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).