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

C23H17ClF3NO2 — CID 59492927

IUPAC2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1Cl
InChIInChI=1S/C23H17ClF3NO2/c1-28(2)21(29)17-10-8-14(12-20(17)24)13-7-9-16-15-5-3-4-6-18(15)22(30,19(16)11-13)23(25,26)27/h3-12,30H,1-2H3
InChIKeyFXXPBFOGJBSAAD-UHFFFAOYSA-N
MW431.84 g/mol
LogP5.49
Rot. Bonds2

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

2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide (PubChem CID 59492927) has the molecular formula C23H17ClF3NO2 and a molecular weight of 431.84 g/mol. Its IUPAC name is 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
PubChem CID59492927
Molecular FormulaC23H17ClF3NO2
Molecular Weight431.84 g/mol
Exact Mass431.09
IUPAC Name2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1Cl
InChIInChI=1S/C23H17ClF3NO2/c1-28(2)21(29)17-10-8-14(12-20(17)24)13-7-9-16-15-5-3-4-6-18(15)22(30,19(16)11-13)23(25,26)27/h3-12,30H,1-2H3
InChIKeyFXXPBFOGJBSAAD-UHFFFAOYSA-N
XLogP5.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.84
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-[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

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
[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 59492641
2-Chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492676
2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59492770
Azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492847
[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 59492857
1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide
CID 59493027
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
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492546
9-hydroxy-N,N-dimethyl-9-(trifluoromethyl)fluorene-3-carboxamide
CID 59492643

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide (CID 59492927) is 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide is CN(C)C(=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,N-dimethylbenzamide?
The InChIKey is FXXPBFOGJBSAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3NO2/c1-28(2)21(29)17-10-8-14(12-20(17)24)13-7-9-16-15-5-3-4-6-18(15)22(30,19(16)11-13)23(25,26)27/h3-12,30H,1-2H3.
What are the key properties of 2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide has a molecular weight of 431.84 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 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,N-dimethylbenzamide is sourced from PubChem (CID 59492927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).