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

C23H16F3N3O2 — CID 57392582

IUPAC2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1cc(Oc2ccc3ccccc3c2)ncc1C(F)(F)F
InChIInChI=1S/C23H16F3N3O2/c24-23(25,26)18-13-28-21(31-16-10-9-14-5-1-2-6-15(14)11-16)12-20(18)29-19-8-4-3-7-17(19)22(27)30/h1-13H,(H2,27,30)(H,28,29)
InChIKeyBYRMCDKPXHCUKH-UHFFFAOYSA-N
MW423.39 g/mol
LogP5.89
Rot. Bonds5

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

2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 57392582) has the molecular formula C23H16F3N3O2 and a molecular weight of 423.39 g/mol. Its IUPAC name is 2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID57392582
Molecular FormulaC23H16F3N3O2
Molecular Weight423.39 g/mol
Exact Mass423.12
IUPAC Name2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1cc(Oc2ccc3ccccc3c2)ncc1C(F)(F)F
InChIInChI=1S/C23H16F3N3O2/c24-23(25,26)18-13-28-21(31-16-10-9-14-5-1-2-6-15(14)11-16)12-20(18)29-19-8-4-3-7-17(19)22(27)30/h1-13H,(H2,27,30)(H,28,29)
InChIKeyBYRMCDKPXHCUKH-UHFFFAOYSA-N
XLogP5.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.39
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 57392582) is 2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is NC(=O)c1ccccc1Nc1cc(Oc2ccc3ccccc3c2)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is BYRMCDKPXHCUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O2/c24-23(25,26)18-13-28-21(31-16-10-9-14-5-1-2-6-15(14)11-16)12-20(18)29-19-8-4-3-7-17(19)22(27)30/h1-13H,(H2,27,30)(H,28,29).
What are the key properties of 2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 423.39 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-naphthalen-2-yloxy-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 57392582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).