3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide

C19H11F3N4O2 — CID 58337628

IUPAC3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Oc3cncnc3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H11F3N4O2/c20-19(21,22)14-5-15(7-16(6-14)28-17-9-24-11-25-10-17)26-18(27)13-3-1-2-12(4-13)8-23/h1-7,9-11H,(H,26,27)
InChIKeyLIGQNNGOSXUUCQ-UHFFFAOYSA-N
MW384.32 g/mol
LogP4.41
Rot. Bonds4

About 3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide

3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 58337628) has the molecular formula C19H11F3N4O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID58337628
Molecular FormulaC19H11F3N4O2
Molecular Weight384.32 g/mol
Exact Mass384.08
IUPAC Name3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Oc3cncnc3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H11F3N4O2/c20-19(21,22)14-5-15(7-16(6-14)28-17-9-24-11-25-10-17)26-18(27)13-3-1-2-12(4-13)8-23/h1-7,9-11H,(H,26,27)
InChIKeyLIGQNNGOSXUUCQ-UHFFFAOYSA-N
XLogP4.41
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide (CID 58337628) is 3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2cc(Oc3cncnc3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LIGQNNGOSXUUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O2/c20-19(21,22)14-5-15(7-16(6-14)28-17-9-24-11-25-10-17)26-18(27)13-3-1-2-12(4-13)8-23/h1-7,9-11H,(H,26,27).
What are the key properties of 3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide?
3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 384.32 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58337628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).