2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C22H20F3N3O2 — CID 123771216

IUPAC2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCc1ccc(CNc2ccc(Oc3ncc(C)cc3C(F)(F)F)cc2C(N)=O)cc1
InChIInChI=1S/C22H20F3N3O2/c1-13-3-5-15(6-4-13)12-27-19-8-7-16(10-17(19)20(26)29)30-21-18(22(23,24)25)9-14(2)11-28-21/h3-11,27H,12H2,1-2H3,(H2,26,29)
InChIKeyRJBZTLYATWOWDF-UHFFFAOYSA-N
MW415.42 g/mol
LogP5.22
Rot. Bonds6

About 2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 123771216) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID123771216
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCc1ccc(CNc2ccc(Oc3ncc(C)cc3C(F)(F)F)cc2C(N)=O)cc1
InChIInChI=1S/C22H20F3N3O2/c1-13-3-5-15(6-4-13)12-27-19-8-7-16(10-17(19)20(26)29)30-21-18(22(23,24)25)9-14(2)11-28-21/h3-11,27H,12H2,1-2H3,(H2,26,29)
InChIKeyRJBZTLYATWOWDF-UHFFFAOYSA-N
XLogP5.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of 2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 123771216) is 2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is Cc1ccc(CNc2ccc(Oc3ncc(C)cc3C(F)(F)F)cc2C(N)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is RJBZTLYATWOWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-13-3-5-15(6-4-13)12-27-19-8-7-16(10-17(19)20(26)29)30-21-18(22(23,24)25)9-14(2)11-28-21/h3-11,27H,12H2,1-2H3,(H2,26,29).
What are the key properties of 2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 415.42 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]-5-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 123771216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).