N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide

C18H11F4N3O2 — CID 71799786

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H11F4N3O2/c19-14-7-3-4-8-15(14)27-17-23-9-11(10-24-17)25-16(26)12-5-1-2-6-13(12)18(20,21)22/h1-10H,(H,25,26)
InChIKeyWNTKBVLJVBELLJ-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.68
Rot. Bonds4

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide (PubChem CID 71799786) has the molecular formula C18H11F4N3O2 and a molecular weight of 377.30 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide
PubChem CID71799786
Molecular FormulaC18H11F4N3O2
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H11F4N3O2/c19-14-7-3-4-8-15(14)27-17-23-9-11(10-24-17)25-16(26)12-5-1-2-6-13(12)18(20,21)22/h1-10H,(H,25,26)
InChIKeyWNTKBVLJVBELLJ-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide (CID 71799786) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide is O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is WNTKBVLJVBELLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O2/c19-14-7-3-4-8-15(14)27-17-23-9-11(10-24-17)25-16(26)12-5-1-2-6-13(12)18(20,21)22/h1-10H,(H,25,26).
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 377.30 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71799786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).