4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide

C25H24ClF3N2O2 — CID 126703080

IUPAC4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C1CCC(Oc2ccnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H24ClF3N2O2/c1-15(31-24(32)17-2-7-19(26)8-3-17)16-4-9-20(10-5-16)33-23-12-13-30-22-11-6-18(14-21(22)23)25(27,28)29/h2-3,6-8,11-16,20H,4-5,9-10H2,1H3,(H,31,32)
InChIKeyOOSYRRMTSJPIOL-UHFFFAOYSA-N
MW476.93 g/mol
LogP6.66
Rot. Bonds5

About 4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide

4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide (PubChem CID 126703080) has the molecular formula C25H24ClF3N2O2 and a molecular weight of 476.93 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide
PubChem CID126703080
Molecular FormulaC25H24ClF3N2O2
Molecular Weight476.93 g/mol
Exact Mass476.15
IUPAC Name4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C1CCC(Oc2ccnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H24ClF3N2O2/c1-15(31-24(32)17-2-7-19(26)8-3-17)16-4-9-20(10-5-16)33-23-12-13-30-22-11-6-18(14-21(22)23)25(27,28)29/h2-3,6-8,11-16,20H,4-5,9-10H2,1H3,(H,31,32)
InChIKeyOOSYRRMTSJPIOL-UHFFFAOYSA-N
XLogP6.66
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 ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide (CID 126703080) is 4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C1CCC(Oc2ccnc3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide?
The InChIKey is OOSYRRMTSJPIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N2O2/c1-15(31-24(32)17-2-7-19(26)8-3-17)16-4-9-20(10-5-16)33-23-12-13-30-22-11-6-18(14-21(22)23)25(27,28)29/h2-3,6-8,11-16,20H,4-5,9-10H2,1H3,(H,31,32).
What are the key properties of 4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide?
4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide has a molecular weight of 476.93 g/mol, XLogP of 6.66, 5 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-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide is sourced from PubChem (CID 126703080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).