1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole

C23H20F3NO — CID 58149825

IUPAC1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole
SMILESCOc1ccc(CN2CCc3cccc(-c4ccc(C(F)(F)F)cc4)c32)cc1
InChIInChI=1S/C23H20F3NO/c1-28-20-11-5-16(6-12-20)15-27-14-13-18-3-2-4-21(22(18)27)17-7-9-19(10-8-17)23(24,25)26/h2-12H,13-15H2,1H3
InChIKeyJYRBPQCANSGQCK-UHFFFAOYSA-N
MW383.41 g/mol
LogP5.94
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole

1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole (PubChem CID 58149825) has the molecular formula C23H20F3NO and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole
PubChem CID58149825
Molecular FormulaC23H20F3NO
Molecular Weight383.41 g/mol
Exact Mass383.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole
SMILESCOc1ccc(CN2CCc3cccc(-c4ccc(C(F)(F)F)cc4)c32)cc1
InChIInChI=1S/C23H20F3NO/c1-28-20-11-5-16(6-12-20)15-27-14-13-18-3-2-4-21(22(18)27)17-7-9-19(10-8-17)23(24,25)26/h2-12H,13-15H2,1H3
InChIKeyJYRBPQCANSGQCK-UHFFFAOYSA-N
XLogP5.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole 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 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole (CID 58149825) is 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole is COc1ccc(CN2CCc3cccc(-c4ccc(C(F)(F)F)cc4)c32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
The InChIKey is JYRBPQCANSGQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO/c1-28-20-11-5-16(6-12-20)15-27-14-13-18-3-2-4-21(22(18)27)17-7-9-19(10-8-17)23(24,25)26/h2-12H,13-15H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole has a molecular weight of 383.41 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole is sourced from PubChem (CID 58149825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).