N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide

C18H14F3N3O2 — CID 52655302

IUPACN-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide
SMILESO=C(NCCOc1cccc(C(F)(F)F)c1)c1cnc2ccccc2n1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)12-4-3-5-13(10-12)26-9-8-22-17(25)16-11-23-14-6-1-2-7-15(14)24-16/h1-7,10-11H,8-9H2,(H,22,25)
InChIKeySKQMDYKVCYMDRL-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.46
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide

N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide (PubChem CID 52655302) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide
PubChem CID52655302
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC NameN-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide
SMILESO=C(NCCOc1cccc(C(F)(F)F)c1)c1cnc2ccccc2n1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)12-4-3-5-13(10-12)26-9-8-22-17(25)16-11-23-14-6-1-2-7-15(14)24-16/h1-7,10-11H,8-9H2,(H,22,25)
InChIKeySKQMDYKVCYMDRL-UHFFFAOYSA-N
XLogP3.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
1-(3-hydroxypropyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 110894379
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide
CID 55853865
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 120589464
4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803408
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide (CID 52655302) is N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide is O=C(NCCOc1cccc(C(F)(F)F)c1)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide?
The InChIKey is SKQMDYKVCYMDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)12-4-3-5-13(10-12)26-9-8-22-17(25)16-11-23-14-6-1-2-7-15(14)24-16/h1-7,10-11H,8-9H2,(H,22,25).
What are the key properties of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide?
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 52655302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).