3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide

C23H18F3NO2 — CID 59493142

IUPAC3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1
InChIInChI=1S/C23H18F3NO2/c1-27(2)21(28)16-7-5-6-14(12-16)15-10-11-18-17-8-3-4-9-19(17)22(29,20(18)13-15)23(24,25)26/h3-13,29H,1-2H3
InChIKeyOTJAHVKXYHAMMW-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.83
Rot. Bonds2

About 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide

3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide (PubChem CID 59493142) has the molecular formula C23H18F3NO2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
PubChem CID59493142
Molecular FormulaC23H18F3NO2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1
InChIInChI=1S/C23H18F3NO2/c1-27(2)21(28)16-7-5-6-14(12-16)15-10-11-18-17-8-3-4-9-19(17)22(29,20(18)13-15)23(24,25)26/h3-13,29H,1-2H3
InChIKeyOTJAHVKXYHAMMW-UHFFFAOYSA-N
XLogP4.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide 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 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide (CID 59493142) is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1.
What is the InChIKey of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The InChIKey is OTJAHVKXYHAMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO2/c1-27(2)21(28)16-7-5-6-14(12-16)15-10-11-18-17-8-3-4-9-19(17)22(29,20(18)13-15)23(24,25)26/h3-13,29H,1-2H3.
What are the key properties of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide has a molecular weight of 397.40 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59493142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).