3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C23H18F3N3O — CID 155518155

IUPAC3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C23H18F3N3O/c1-14-5-6-17(10-20(14)16-7-8-18-13-28-29-21(18)11-16)22(30)27-12-15-3-2-4-19(9-15)23(24,25)26/h2-11,13H,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyWOCHNCYTJQKRRX-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.49
Rot. Bonds4

About 3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 155518155) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is 3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID155518155
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C23H18F3N3O/c1-14-5-6-17(10-20(14)16-7-8-18-13-28-29-21(18)11-16)22(30)27-12-15-3-2-4-19(9-15)23(24,25)26/h2-11,13H,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyWOCHNCYTJQKRRX-UHFFFAOYSA-N
XLogP5.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 155518155) is 3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1.
What is the InChIKey of 3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is WOCHNCYTJQKRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c1-14-5-6-17(10-20(14)16-7-8-18-13-28-29-21(18)11-16)22(30)27-12-15-3-2-4-19(9-15)23(24,25)26/h2-11,13H,12H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 409.41 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-yl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 155518155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).