3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide

C21H14F3NO2 — CID 59492649

IUPAC3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1
InChIInChI=1S/C21H14F3NO2/c22-21(23,24)20(27)17-7-2-1-6-15(17)16-9-8-13(11-18(16)20)12-4-3-5-14(10-12)19(25)26/h1-11,27H,(H2,25,26)
InChIKeyXGBUELJHDFTPHV-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.23
Rot. Bonds2

About 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide

3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide (PubChem CID 59492649) has the molecular formula C21H14F3NO2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide.

Molecular Properties

Compound Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
PubChem CID59492649
Molecular FormulaC21H14F3NO2
Molecular Weight369.34 g/mol
Exact Mass369.10
IUPAC Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1
InChIInChI=1S/C21H14F3NO2/c22-21(23,24)20(27)17-7-2-1-6-15(17)16-9-8-13(11-18(16)20)12-4-3-5-14(10-12)19(25)26/h1-11,27H,(H2,25,26)
InChIKeyXGBUELJHDFTPHV-UHFFFAOYSA-N
XLogP4.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide?
The IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide (CID 59492649) is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide.
What is the SMILES notation for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide?
The canonical SMILES for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide is NC(=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]benzamide?
The InChIKey is XGBUELJHDFTPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO2/c22-21(23,24)20(27)17-7-2-1-6-15(17)16-9-8-13(11-18(16)20)12-4-3-5-14(10-12)19(25)26/h1-11,27H,(H2,25,26).
What are the key properties of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide?
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide has a molecular weight of 369.34 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 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]benzamide is sourced from PubChem (CID 59492649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).