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

C19H13F4N3O2 — CID 117077328

IUPAC2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1cc(Oc2ccccc2F)ncc1C(F)(F)F
InChIInChI=1S/C19H13F4N3O2/c20-13-6-2-4-8-16(13)28-17-9-15(12(10-25-17)19(21,22)23)26-14-7-3-1-5-11(14)18(24)27/h1-10H,(H2,24,27)(H,25,26)
InChIKeyVULJRTHBGDEKNL-UHFFFAOYSA-N
MW391.32 g/mol
LogP4.87
Rot. Bonds5

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

2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 117077328) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID117077328
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC Name2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1cc(Oc2ccccc2F)ncc1C(F)(F)F
InChIInChI=1S/C19H13F4N3O2/c20-13-6-2-4-8-16(13)28-17-9-15(12(10-25-17)19(21,22)23)26-14-7-3-1-5-11(14)18(24)27/h1-10H,(H2,24,27)(H,25,26)
InChIKeyVULJRTHBGDEKNL-UHFFFAOYSA-N
XLogP4.87
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 57390771
2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 141455583
5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide
CID 114267919
5-amino-2-(2,5-difluorophenoxy)pyridine-4-carboxamide
CID 114090768
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine
CID 165371953
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
ethane;[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]hydrazine
CID 145211137
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 117077328) is 2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is NC(=O)c1ccccc1Nc1cc(Oc2ccccc2F)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is VULJRTHBGDEKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-13-6-2-4-8-16(13)28-17-9-15(12(10-25-17)19(21,22)23)26-14-7-3-1-5-11(14)18(24)27/h1-10H,(H2,24,27)(H,25,26).
What are the key properties of 2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 391.32 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenoxy)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 117077328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).