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

C21H13ClF3NO2 — CID 59492676

IUPAC2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1Cl
InChIInChI=1S/C21H13ClF3NO2/c22-18-10-12(6-8-15(18)19(26)27)11-5-7-14-13-3-1-2-4-16(13)20(28,17(14)9-11)21(23,24)25/h1-10,28H,(H2,26,27)
InChIKeyNBUUYNZLQUAICS-UHFFFAOYSA-N
MW403.79 g/mol
LogP4.88
Rot. Bonds2

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

2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide (PubChem CID 59492676) has the molecular formula C21H13ClF3NO2 and a molecular weight of 403.79 g/mol. Its IUPAC name is 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
PubChem CID59492676
Molecular FormulaC21H13ClF3NO2
Molecular Weight403.79 g/mol
Exact Mass403.06
IUPAC Name2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1Cl
InChIInChI=1S/C21H13ClF3NO2/c22-18-10-12(6-8-15(18)19(26)27)11-5-7-14-13-3-1-2-4-16(13)20(28,17(14)9-11)21(23,24)25/h1-10,28H,(H2,26,27)
InChIKeyNBUUYNZLQUAICS-UHFFFAOYSA-N
XLogP4.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.79
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide?
The IUPAC name of 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide (CID 59492676) is 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide.
What is the SMILES notation for 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide?
The canonical SMILES for 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide is NC(=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]benzamide?
The InChIKey is NBUUYNZLQUAICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3NO2/c22-18-10-12(6-8-15(18)19(26)27)11-5-7-14-13-3-1-2-4-16(13)20(28,17(14)9-11)21(23,24)25/h1-10,28H,(H2,26,27).
What are the key properties of 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide?
2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide has a molecular weight of 403.79 g/mol, XLogP of 4.88, 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]benzamide is sourced from PubChem (CID 59492676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).