2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C19H13ClF3N3O2 — CID 57390768

IUPAC2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1cc(Oc2cccc(Cl)c2)ncc1C(F)(F)F
InChIInChI=1S/C19H13ClF3N3O2/c20-11-4-3-5-12(8-11)28-17-9-16(14(10-25-17)19(21,22)23)26-15-7-2-1-6-13(15)18(24)27/h1-10H,(H2,24,27)(H,25,26)
InChIKeyOCHCLSOFYOZAEG-UHFFFAOYSA-N
MW407.78 g/mol
LogP5.39
Rot. Bonds5

About 2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 57390768) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID57390768
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC Name2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1cc(Oc2cccc(Cl)c2)ncc1C(F)(F)F
InChIInChI=1S/C19H13ClF3N3O2/c20-11-4-3-5-12(8-11)28-17-9-16(14(10-25-17)19(21,22)23)26-15-7-2-1-6-13(15)18(24)27/h1-10H,(H2,24,27)(H,25,26)
InChIKeyOCHCLSOFYOZAEG-UHFFFAOYSA-N
XLogP5.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.78
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 57390768) is 2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is NC(=O)c1ccccc1Nc1cc(Oc2cccc(Cl)c2)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is OCHCLSOFYOZAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c20-11-4-3-5-12(8-11)28-17-9-16(14(10-25-17)19(21,22)23)26-15-7-2-1-6-13(15)18(24)27/h1-10H,(H2,24,27)(H,25,26).
What are the key properties of 2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 407.78 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 57390768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).