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

C22H16F3NO2 — CID 59493216

IUPAC3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1
InChIInChI=1S/C22H16F3NO2/c1-26-20(27)15-6-4-5-13(11-15)14-9-10-17-16-7-2-3-8-18(16)21(28,19(17)12-14)22(23,24)25/h2-12,28H,1H3,(H,26,27)
InChIKeyFLYJOUBLZGFLGB-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.49
Rot. Bonds2

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

3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide (PubChem CID 59493216) has the molecular formula C22H16F3NO2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
PubChem CID59493216
Molecular FormulaC22H16F3NO2
Molecular Weight383.37 g/mol
Exact Mass383.11
IUPAC Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)c1
InChIInChI=1S/C22H16F3NO2/c1-26-20(27)15-6-4-5-13(11-15)14-9-10-17-16-7-2-3-8-18(16)21(28,19(17)12-14)22(23,24)25/h2-12,28H,1H3,(H,26,27)
InChIKeyFLYJOUBLZGFLGB-UHFFFAOYSA-N
XLogP4.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
2-[2-[[3-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 1431346
4-[4-[[2-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 127040870
3-[4-[[2-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 127040871
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492496
2-Ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492498
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492504
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59492517
2-Ethynyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492532
Azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492575
3-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492649
2-(Azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492652

Frequently Asked Questions

What is the IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide (CID 59493216) is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide is CNC(=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-methylbenzamide?
The InChIKey is FLYJOUBLZGFLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO2/c1-26-20(27)15-6-4-5-13(11-15)14-9-10-17-16-7-2-3-8-18(16)21(28,19(17)12-14)22(23,24)25/h2-12,28H,1H3,(H,26,27).
What are the key properties of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide?
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide has a molecular weight of 383.37 g/mol, XLogP of 4.49, 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]-N-methylbenzamide is sourced from PubChem (CID 59493216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).