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

C19H17ClF3NO3 — CID 59493221

IUPACN-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H17ClF3NO3/c1-11(25)24(2)7-8-27-12-9-15-17(16(20)10-12)13-5-3-4-6-14(13)18(15,26)19(21,22)23/h3-6,9-10,26H,7-8H2,1-2H3
InChIKeyIIJJPJNESHHDRO-UHFFFAOYSA-N
MW399.80 g/mol
LogP3.98
Rot. Bonds4

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

N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide (PubChem CID 59493221) has the molecular formula C19H17ClF3NO3 and a molecular weight of 399.80 g/mol. Its IUPAC name is N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
PubChem CID59493221
Molecular FormulaC19H17ClF3NO3
Molecular Weight399.80 g/mol
Exact Mass399.08
IUPAC NameN-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H17ClF3NO3/c1-11(25)24(2)7-8-27-12-9-15-17(16(20)10-12)13-5-3-4-6-14(13)18(15,26)19(21,22)23/h3-6,9-10,26H,7-8H2,1-2H3
InChIKeyIIJJPJNESHHDRO-UHFFFAOYSA-N
XLogP3.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide 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

tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
CID 59492476
N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59492614
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492675
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 59492720
4-Chloro-2-(5-hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492741
1-(Azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492759
N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide
CID 59492804
2-[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492816
N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylmethanesulfonamide
CID 59492829
2-hydroxy-N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59492942
N-(2-hydroxyethyl)-N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]acetamide
CID 59492965
N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide
CID 59492991

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide?
The IUPAC name of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide (CID 59493221) is N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide is CC(=O)N(C)CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide?
The InChIKey is IIJJPJNESHHDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO3/c1-11(25)24(2)7-8-27-12-9-15-17(16(20)10-12)13-5-3-4-6-14(13)18(15,26)19(21,22)23/h3-6,9-10,26H,7-8H2,1-2H3.
What are the key properties of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide?
N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide has a molecular weight of 399.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide is sourced from PubChem (CID 59493221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).