4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C23H20F3N3O3 — CID 166200827

IUPAC4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)COCc1cccnc1
InChIInChI=1S/C23H20F3N3O3/c1-15-7-8-17(22(31)28-19-6-2-5-18(11-19)23(24,25)26)10-20(15)29-21(30)14-32-13-16-4-3-9-27-12-16/h2-12H,13-14H2,1H3,(H,28,31)(H,29,30)
InChIKeyRWOYVLWBJGXKHF-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.82
Rot. Bonds7

About 4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 166200827) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID166200827
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)COCc1cccnc1
InChIInChI=1S/C23H20F3N3O3/c1-15-7-8-17(22(31)28-19-6-2-5-18(11-19)23(24,25)26)10-20(15)29-21(30)14-32-13-16-4-3-9-27-12-16/h2-12H,13-14H2,1H3,(H,28,31)(H,29,30)
InChIKeyRWOYVLWBJGXKHF-UHFFFAOYSA-N
XLogP4.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide
CID 22668187
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167803256
3-[(3-bromo-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146621857
3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 138857895
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24783650
[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl] 3-hydroxy-4-methylbenzoate
CID 16576081
4-methyl-3-(1-pyridin-3-ylaziridin-2-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170156523
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622218
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 166200827) is 4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)COCc1cccnc1.
What is the InChIKey of 4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RWOYVLWBJGXKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-15-7-8-17(22(31)28-19-6-2-5-18(11-19)23(24,25)26)10-20(15)29-21(30)14-32-13-16-4-3-9-27-12-16/h2-12H,13-14H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 443.43 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 166200827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).