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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Related Compounds

Nvp-baw2881
CID 16004702
3-(4-{[4-(4-Cyano-2,6-dimethylphenoxy)-5-fluoropyrimidin-2-yl]amino}piperidin-1-yl)benzamide
CID 24958771
N-(3-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)-3-(trifluoro-methoxy)benzamide
CID 44133722
3-isopropyl-N-(3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)-5-(trifluoromethyl)phenyl)benzamide
CID 44440299
3-(4-{[4-(4-Cyano-2,6-dimethylphenoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)benzamide
CID 52950108
3-fluoro-N-(5-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936731
3-fluoro-5-pyrimidin-5-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 69936803
3-fluoro-N-(6-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936858
N-[6-(difluoromethyl)pyridin-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936867
N-(5-fluoro-2-pyridinyl)-3-methyl-5-pyrimidin-5-yloxybenzamide
CID 69936926
3-cyano-N-(5-fluoropyridin-2-yl)-5-(pyrimidin-5-yloxy)benzamide
CID 69937644
3-(Pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
CID 72202747

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).