2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C20H14F3N3O4 — CID 57399521

IUPAC2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1cc(Oc2ccc3c(c2)OCO3)ncc1C(F)(F)F
InChIInChI=1S/C20H14F3N3O4/c21-20(22,23)13-9-25-18(30-11-5-6-16-17(7-11)29-10-28-16)8-15(13)26-14-4-2-1-3-12(14)19(24)27/h1-9H,10H2,(H2,24,27)(H,25,26)
InChIKeyZDJZJCGVCBBGDA-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.46
Rot. Bonds5

About 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 57399521) has the molecular formula C20H14F3N3O4 and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID57399521
Molecular FormulaC20H14F3N3O4
Molecular Weight417.34 g/mol
Exact Mass417.09
IUPAC Name2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1cc(Oc2ccc3c(c2)OCO3)ncc1C(F)(F)F
InChIInChI=1S/C20H14F3N3O4/c21-20(22,23)13-9-25-18(30-11-5-6-16-17(7-11)29-10-28-16)8-15(13)26-14-4-2-1-3-12(14)19(24)27/h1-9H,10H2,(H2,24,27)(H,25,26)
InChIKeyZDJZJCGVCBBGDA-UHFFFAOYSA-N
XLogP4.46
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 57399521) is 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is NC(=O)c1ccccc1Nc1cc(Oc2ccc3c(c2)OCO3)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is ZDJZJCGVCBBGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4/c21-20(22,23)13-9-25-18(30-11-5-6-16-17(7-11)29-10-28-16)8-15(13)26-14-4-2-1-3-12(14)19(24)27/h1-9H,10H2,(H2,24,27)(H,25,26).
What are the key properties of 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 417.34 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 57399521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).