N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide

C19H14ClF3N2O2 — CID 78889390

IUPACN-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESO=C(NCCOc1cccc(Cl)c1)c1cnc2ccccc2c1C(F)(F)F
InChIInChI=1S/C19H14ClF3N2O2/c20-12-4-3-5-13(10-12)27-9-8-24-18(26)15-11-25-16-7-2-1-6-14(16)17(15)19(21,22)23/h1-7,10-11H,8-9H2,(H,24,26)
InChIKeyGWEVIMSGVRONGG-UHFFFAOYSA-N
MW394.78 g/mol
LogP4.72
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 78889390) has the molecular formula C19H14ClF3N2O2 and a molecular weight of 394.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID78889390
Molecular FormulaC19H14ClF3N2O2
Molecular Weight394.78 g/mol
Exact Mass394.07
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESO=C(NCCOc1cccc(Cl)c1)c1cnc2ccccc2c1C(F)(F)F
InChIInChI=1S/C19H14ClF3N2O2/c20-12-4-3-5-13(10-12)27-9-8-24-18(26)15-11-25-16-7-2-1-6-14(16)17(15)19(21,22)23/h1-7,10-11H,8-9H2,(H,24,26)
InChIKeyGWEVIMSGVRONGG-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55717207
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide
CID 52655302
N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78889434
N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 86815974
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
CID 74766847
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide
CID 47036473
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide
CID 55716374
4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide
CID 44590767

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide (CID 78889390) is N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide is O=C(NCCOc1cccc(Cl)c1)c1cnc2ccccc2c1C(F)(F)F.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is GWEVIMSGVRONGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2/c20-12-4-3-5-13(10-12)27-9-8-24-18(26)15-11-25-16-7-2-1-6-14(16)17(15)19(21,22)23/h1-7,10-11H,8-9H2,(H,24,26).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 394.78 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 78889390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).