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

C23H18F3N3O — CID 118335573

IUPAC2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C23H18F3N3O/c1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26/h2-13H,14H2,1H3,(H,27,28,30)
InChIKeyLPHDEQMBAJXIHH-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.66
Rot. Bonds4

About 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118335573) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118335573
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C23H18F3N3O/c1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26/h2-13H,14H2,1H3,(H,27,28,30)
InChIKeyLPHDEQMBAJXIHH-UHFFFAOYSA-N
XLogP5.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118335573) is 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is LPHDEQMBAJXIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26/h2-13H,14H2,1H3,(H,27,28,30).
What are the key properties of 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 409.41 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118335573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).