N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide

C18H17Cl2F3N2O — CID 86609736

IUPACN-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CCC(C(F)(F)F)CC1)Nc1c(Cl)ccc2nc(Cl)ccc12
InChIInChI=1S/C18H17Cl2F3N2O/c19-13-6-7-14-12(5-8-15(20)24-14)17(13)25-16(26)9-10-1-3-11(4-2-10)18(21,22)23/h5-8,10-11H,1-4,9H2,(H,25,26)
InChIKeyWKAPQXBPTVTOJS-UHFFFAOYSA-N
MW405.25 g/mol
LogP6.24
Rot. Bonds3

About N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide

N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 86609736) has the molecular formula C18H17Cl2F3N2O and a molecular weight of 405.25 g/mol. Its IUPAC name is N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID86609736
Molecular FormulaC18H17Cl2F3N2O
Molecular Weight405.25 g/mol
Exact Mass404.07
IUPAC NameN-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CCC(C(F)(F)F)CC1)Nc1c(Cl)ccc2nc(Cl)ccc12
InChIInChI=1S/C18H17Cl2F3N2O/c19-13-6-7-14-12(5-8-15(20)24-14)17(13)25-16(26)9-10-1-3-11(4-2-10)18(21,22)23/h5-8,10-11H,1-4,9H2,(H,25,26)
InChIKeyWKAPQXBPTVTOJS-UHFFFAOYSA-N
XLogP6.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.25
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 86609736) is N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide is O=C(CC1CCC(C(F)(F)F)CC1)Nc1c(Cl)ccc2nc(Cl)ccc12.
What is the InChIKey of N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is WKAPQXBPTVTOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F3N2O/c19-13-6-7-14-12(5-8-15(20)24-14)17(13)25-16(26)9-10-1-3-11(4-2-10)18(21,22)23/h5-8,10-11H,1-4,9H2,(H,25,26).
What are the key properties of N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 405.25 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloroquinolin-5-yl)-2-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 86609736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).