2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C20H16F3N3O3 — CID 54764508

IUPAC2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H16F3N3O3/c1-28-12-6-8-13(9-7-12)29-18-10-17(15(11-25-18)20(21,22)23)26-16-5-3-2-4-14(16)19(24)27/h2-11H,1H3,(H2,24,27)(H,25,26)
InChIKeySHQNUFDSTNIIBP-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.74
Rot. Bonds6

About 2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 54764508) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID54764508
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H16F3N3O3/c1-28-12-6-8-13(9-7-12)29-18-10-17(15(11-25-18)20(21,22)23)26-16-5-3-2-4-14(16)19(24)27/h2-11H,1H3,(H2,24,27)(H,25,26)
InChIKeySHQNUFDSTNIIBP-UHFFFAOYSA-N
XLogP4.74
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 54764508) is 2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is SHQNUFDSTNIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-28-12-6-8-13(9-7-12)29-18-10-17(15(11-25-18)20(21,22)23)26-16-5-3-2-4-14(16)19(24)27/h2-11H,1H3,(H2,24,27)(H,25,26).
What are the key properties of 2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 403.36 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 54764508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).