N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide

C23H26ClF3N2O3 — CID 53246219

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1cccc(OC2CCCC2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H26ClF3N2O3/c1-29(2)12-13-31-19-8-5-9-20(32-16-6-3-4-7-16)21(19)22(30)28-15-10-11-18(24)17(14-15)23(25,26)27/h5,8-11,14,16H,3-4,6-7,12-13H2,1-2H3,(H,28,30)
InChIKeyXRYPMZOTHRACOW-UHFFFAOYSA-N
MW470.92 g/mol
LogP5.87
Rot. Bonds8

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 53246219) has the molecular formula C23H26ClF3N2O3 and a molecular weight of 470.92 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
PubChem CID53246219
Molecular FormulaC23H26ClF3N2O3
Molecular Weight470.92 g/mol
Exact Mass470.16
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1cccc(OC2CCCC2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H26ClF3N2O3/c1-29(2)12-13-31-19-8-5-9-20(32-16-6-3-4-7-16)21(19)22(30)28-15-10-11-18(24)17(14-15)23(25,26)27/h5,8-11,14,16H,3-4,6-7,12-13H2,1-2H3,(H,28,30)
InChIKeyXRYPMZOTHRACOW-UHFFFAOYSA-N
XLogP5.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.92
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide (CID 53246219) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide is CN(C)CCOc1cccc(OC2CCCC2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is XRYPMZOTHRACOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N2O3/c1-29(2)12-13-31-19-8-5-9-20(32-16-6-3-4-7-16)21(19)22(30)28-15-10-11-18(24)17(14-15)23(25,26)27/h5,8-11,14,16H,3-4,6-7,12-13H2,1-2H3,(H,28,30).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 470.92 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 53246219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).