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

C19H14F3N3O3 — CID 24743255

IUPAC4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)28-16-5-2-1-4-14(16)12-25-17(26)13-6-8-15(9-7-13)27-18-23-10-3-11-24-18/h1-11H,12H2,(H,25,26)
InChIKeyJYTUIUYASYOZLQ-UHFFFAOYSA-N
MW389.33 g/mol
LogP4.10
Rot. Bonds6

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

4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 24743255) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID24743255
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)28-16-5-2-1-4-14(16)12-25-17(26)13-6-8-15(9-7-13)27-18-23-10-3-11-24-18/h1-11H,12H2,(H,25,26)
InChIKeyJYTUIUYASYOZLQ-UHFFFAOYSA-N
XLogP4.10
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 41479006
N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 45487831
4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560631
3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 64523070
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 124740802
3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 112804201
N-butyl-4-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]benzamide
CID 112829565
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 24743255) is 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccccc1OC(F)(F)F)c1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is JYTUIUYASYOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c20-19(21,22)28-16-5-2-1-4-14(16)12-25-17(26)13-6-8-15(9-7-13)27-18-23-10-3-11-24-18/h1-11H,12H2,(H,25,26).
What are the key properties of 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 389.33 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 24743255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).