N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide

C25H24ClF3N2O2 — CID 130219664

IUPACN-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(Oc2ccnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H24ClF3N2O2/c1-15(24(32)31-19-7-5-18(26)6-8-19)16-2-9-20(10-3-16)33-23-12-13-30-22-11-4-17(14-21(22)23)25(27,28)29/h4-8,11-16,20H,2-3,9-10H2,1H3,(H,31,32)
InChIKeyBJFUYBNASXDOAE-UHFFFAOYSA-N
MW476.93 g/mol
LogP7.12
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide

N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide (PubChem CID 130219664) has the molecular formula C25H24ClF3N2O2 and a molecular weight of 476.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide
PubChem CID130219664
Molecular FormulaC25H24ClF3N2O2
Molecular Weight476.93 g/mol
Exact Mass476.15
IUPAC NameN-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1CCC(Oc2ccnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H24ClF3N2O2/c1-15(24(32)31-19-7-5-18(26)6-8-19)16-2-9-20(10-3-16)33-23-12-13-30-22-11-4-17(14-21(22)23)25(27,28)29/h4-8,11-16,20H,2-3,9-10H2,1H3,(H,31,32)
InChIKeyBJFUYBNASXDOAE-UHFFFAOYSA-N
XLogP7.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.93
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide
CID 126703080
N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide
CID 166670791
[4-[4-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]cyclohexyl]quinolin-6-yl]-diphenylsulfanium
CID 153431284
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide
CID 121328261
1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea
CID 138559378
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
N-(4-chlorophenyl)-2-[5-(trifluoromethyl)spiro[2H-furo[2,3-b]pyridine-3,4'-cyclohexane]-1'-yl]propanamide
CID 139533917
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 121333300
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175788054
N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
CID 146318421
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide (CID 130219664) is N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)C1CCC(Oc2ccnc3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide?
The InChIKey is BJFUYBNASXDOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N2O2/c1-15(24(32)31-19-7-5-18(26)6-8-19)16-2-9-20(10-3-16)33-23-12-13-30-22-11-4-17(14-21(22)23)25(27,28)29/h4-8,11-16,20H,2-3,9-10H2,1H3,(H,31,32).
What are the key properties of N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide?
N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide has a molecular weight of 476.93 g/mol, XLogP of 7.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide is sourced from PubChem (CID 130219664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).