methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate

C18H16F3NO2 — CID 176902951

IUPACmethyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate
SMILESCOC(=O)c1ccc(C2Cc3ccc(C(F)(F)F)cc3N2C)cc1
InChIInChI=1S/C18H16F3NO2/c1-22-15(11-3-5-12(6-4-11)17(23)24-2)9-13-7-8-14(10-16(13)22)18(19,20)21/h3-8,10,15H,9H2,1-2H3
InChIKeyYRBWPMZVUJJVES-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.23
Rot. Bonds2

About methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate

methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate (PubChem CID 176902951) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate
PubChem CID176902951
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Namemethyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate
SMILESCOC(=O)c1ccc(C2Cc3ccc(C(F)(F)F)cc3N2C)cc1
InChIInChI=1S/C18H16F3NO2/c1-22-15(11-3-5-12(6-4-11)17(23)24-2)9-13-7-8-14(10-16(13)22)18(19,20)21/h3-8,10,15H,9H2,1-2H3
InChIKeyYRBWPMZVUJJVES-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate 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 methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate?
The IUPAC name of methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate (CID 176902951) is methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate?
The canonical SMILES for methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate is COC(=O)c1ccc(C2Cc3ccc(C(F)(F)F)cc3N2C)cc1.
What is the InChIKey of methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate?
The InChIKey is YRBWPMZVUJJVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-22-15(11-3-5-12(6-4-11)17(23)24-2)9-13-7-8-14(10-16(13)22)18(19,20)21/h3-8,10,15H,9H2,1-2H3.
What are the key properties of methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate?
methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate has a molecular weight of 335.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-methyl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]benzoate is sourced from PubChem (CID 176902951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).