N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide

C25H26F3N3O3 — CID 143868348

IUPACN-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(OCCn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C25H26F3N3O3/c1-16-7-12-22(33-2)20(15-16)29-24(32)17-8-10-18(11-9-17)34-14-13-31-21-6-4-3-5-19(21)23(30-31)25(26,27)28/h7-12,15H,3-6,13-14H2,1-2H3,(H,29,32)
InChIKeyDFPLBOHSCKXTMH-UHFFFAOYSA-N
MW473.50 g/mol
LogP5.43
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide

N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide (PubChem CID 143868348) has the molecular formula C25H26F3N3O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide
PubChem CID143868348
Molecular FormulaC25H26F3N3O3
Molecular Weight473.50 g/mol
Exact Mass473.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(OCCn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C25H26F3N3O3/c1-16-7-12-22(33-2)20(15-16)29-24(32)17-8-10-18(11-9-17)34-14-13-31-21-6-4-3-5-19(21)23(30-31)25(26,27)28/h7-12,15H,3-6,13-14H2,1-2H3,(H,29,32)
InChIKeyDFPLBOHSCKXTMH-UHFFFAOYSA-N
XLogP5.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide (CID 143868348) is N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide is COc1ccc(C)cc1NC(=O)c1ccc(OCCn2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide?
The InChIKey is DFPLBOHSCKXTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3/c1-16-7-12-22(33-2)20(15-16)29-24(32)17-8-10-18(11-9-17)34-14-13-31-21-6-4-3-5-19(21)23(30-31)25(26,27)28/h7-12,15H,3-6,13-14H2,1-2H3,(H,29,32).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide?
N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide has a molecular weight of 473.50 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide is sourced from PubChem (CID 143868348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).