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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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).