6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one

C20H14F3NO2 — CID 19353373

IUPAC6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one
SMILESCOc1ccc2cc3c(c(-c4ccc(C(F)(F)F)cc4)c2c1)CNC3=O
InChIInChI=1S/C20H14F3NO2/c1-26-14-7-4-12-8-16-17(10-24-19(16)25)18(15(12)9-14)11-2-5-13(6-3-11)20(21,22)23/h2-9H,10H2,1H3,(H,24,25)
InChIKeyRIBDSVKWZKQXLU-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.78
Rot. Bonds2

About 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one

6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one (PubChem CID 19353373) has the molecular formula C20H14F3NO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one.

Molecular Properties

Compound Name6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one
PubChem CID19353373
Molecular FormulaC20H14F3NO2
Molecular Weight357.33 g/mol
Exact Mass357.10
IUPAC Name6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one
SMILESCOc1ccc2cc3c(c(-c4ccc(C(F)(F)F)cc4)c2c1)CNC3=O
InChIInChI=1S/C20H14F3NO2/c1-26-14-7-4-12-8-16-17(10-24-19(16)25)18(15(12)9-14)11-2-5-13(6-3-11)20(21,22)23/h2-9H,10H2,1H3,(H,24,25)
InChIKeyRIBDSVKWZKQXLU-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one 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 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one?
The IUPAC name of 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one (CID 19353373) is 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one.
What is the SMILES notation for 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one?
The canonical SMILES for 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one is COc1ccc2cc3c(c(-c4ccc(C(F)(F)F)cc4)c2c1)CNC3=O.
What is the InChIKey of 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one?
The InChIKey is RIBDSVKWZKQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO2/c1-26-14-7-4-12-8-16-17(10-24-19(16)25)18(15(12)9-14)11-2-5-13(6-3-11)20(21,22)23/h2-9H,10H2,1H3,(H,24,25).
What are the key properties of 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one?
6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one has a molecular weight of 357.33 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzo[f]isoindol-1-one is sourced from PubChem (CID 19353373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).