4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide

C26H26ClF3N2O2 — CID 121318779

IUPAC4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1CCC(Oc2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C26H26ClF3N2O2/c1-2-21(32-25(33)17-7-11-18(27)12-8-17)16-9-13-19(14-10-16)34-23-15-24(26(28,29)30)31-22-6-4-3-5-20(22)23/h3-8,11-12,15-16,19,21H,2,9-10,13-14H2,1H3,(H,32,33)
InChIKeyBKLFPKGJEGLRAM-UHFFFAOYSA-N
MW490.95 g/mol
LogP7.05
Rot. Bonds6

About 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide

4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide (PubChem CID 121318779) has the molecular formula C26H26ClF3N2O2 and a molecular weight of 490.95 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide
PubChem CID121318779
Molecular FormulaC26H26ClF3N2O2
Molecular Weight490.95 g/mol
Exact Mass490.16
IUPAC Name4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1CCC(Oc2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C26H26ClF3N2O2/c1-2-21(32-25(33)17-7-11-18(27)12-8-17)16-9-13-19(14-10-16)34-23-15-24(26(28,29)30)31-22-6-4-3-5-20(22)23/h3-8,11-12,15-16,19,21H,2,9-10,13-14H2,1H3,(H,32,33)
InChIKeyBKLFPKGJEGLRAM-UHFFFAOYSA-N
XLogP7.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.95
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide 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

3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide
CID 24956953
4-chloro-N-[1-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288903
N-cyclohexyl-2-isopropoxy-4-quinolinecarboxamide
CID 891858
2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 949688
2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 24683819
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid phenethyl-amide
CID 10177949
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid benzylamide
CID 10270385
N-((1R,2R)-2-(hydroxycarbamoyl)cyclohexyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 44446350
N-((1R,2S)-2-(hydroxycarbamoyl)cyclohexyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 44446352
N-[(1R,2S)-4,4-difluoro-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 44455582
2-amino-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzamide
CID 46888721
6-Chloro-2-(2-methoxy-ethoxy)-quinoline-5-carboxylic acid (4,4-difluoro-cyclohexyl methyl)-amide
CID 118566606

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide (CID 121318779) is 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide is CCC(NC(=O)c1ccc(Cl)cc1)C1CCC(Oc2cc(C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide?
The InChIKey is BKLFPKGJEGLRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N2O2/c1-2-21(32-25(33)17-7-11-18(27)12-8-17)16-9-13-19(14-10-16)34-23-15-24(26(28,29)30)31-22-6-4-3-5-20(22)23/h3-8,11-12,15-16,19,21H,2,9-10,13-14H2,1H3,(H,32,33).
What are the key properties of 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide?
4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide has a molecular weight of 490.95 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide is sourced from PubChem (CID 121318779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).