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

C22H16F3N3O — CID 155519342

IUPAC3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C22H16F3N3O/c1-13-5-6-15(9-19(13)14-7-8-16-12-26-28-20(16)10-14)21(29)27-18-4-2-3-17(11-18)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyOKFBUHWKHSSXLQ-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.81
Rot. Bonds3

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

3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155519342) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155519342
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C22H16F3N3O/c1-13-5-6-15(9-19(13)14-7-8-16-12-26-28-20(16)10-14)21(29)27-18-4-2-3-17(11-18)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyOKFBUHWKHSSXLQ-UHFFFAOYSA-N
XLogP5.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.81
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]benzamide?
The IUPAC name of 3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155519342) is 3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(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]benzamide?
The InChIKey is OKFBUHWKHSSXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c1-13-5-6-15(9-19(13)14-7-8-16-12-26-28-20(16)10-14)21(29)27-18-4-2-3-17(11-18)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(1H-indazol-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 395.38 g/mol, XLogP of 5.81, 3 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]benzamide is sourced from PubChem (CID 155519342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).