2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide

C22H15ClF3NO2 — CID 59492770

IUPAC2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1Cl
InChIInChI=1S/C22H15ClF3NO2/c1-27-20(28)16-9-7-13(11-19(16)23)12-6-8-15-14-4-2-3-5-17(14)21(29,18(15)10-12)22(24,25)26/h2-11,29H,1H3,(H,27,28)
InChIKeyVFBRTEJXNSQCHQ-UHFFFAOYSA-N
MW417.81 g/mol
LogP5.15
Rot. Bonds2

About 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide

2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide (PubChem CID 59492770) has the molecular formula C22H15ClF3NO2 and a molecular weight of 417.81 g/mol. Its IUPAC name is 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
PubChem CID59492770
Molecular FormulaC22H15ClF3NO2
Molecular Weight417.81 g/mol
Exact Mass417.07
IUPAC Name2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1Cl
InChIInChI=1S/C22H15ClF3NO2/c1-27-20(28)16-9-7-13(11-19(16)23)12-6-8-15-14-4-2-3-5-17(14)21(29,18(15)10-12)22(24,25)26/h2-11,29H,1H3,(H,27,28)
InChIKeyVFBRTEJXNSQCHQ-UHFFFAOYSA-N
XLogP5.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.81
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-Chloro-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492566
2-Chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492676
Azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492847
2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492927
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59493142
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59493216
9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide
CID 59492613
9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-2-carboxamide
CID 59492620
N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxamide
CID 59492823
2-chloro-6-fluoro-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzamide
CID 71782144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide?
The IUPAC name of 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide (CID 59492770) is 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1Cl.
What is the InChIKey of 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide?
The InChIKey is VFBRTEJXNSQCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3NO2/c1-27-20(28)16-9-7-13(11-19(16)23)12-6-8-15-14-4-2-3-5-17(14)21(29,18(15)10-12)22(24,25)26/h2-11,29H,1H3,(H,27,28).
What are the key properties of 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide?
2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide has a molecular weight of 417.81 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide is sourced from PubChem (CID 59492770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).