7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide

C20H17F4N3O2 — CID 55853865

IUPAC7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)NCCOc3cccc(C(F)(F)F)c3)c2nc1C
InChIInChI=1S/C20H17F4N3O2/c1-11-12(2)27-18-16(9-14(21)10-17(18)26-11)19(28)25-6-7-29-15-5-3-4-13(8-15)20(22,23)24/h3-5,8-10H,6-7H2,1-2H3,(H,25,28)
InChIKeyQFSRRELXIFADAC-UHFFFAOYSA-N
MW407.37 g/mol
LogP4.21
Rot. Bonds5

About 7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide

7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide (PubChem CID 55853865) has the molecular formula C20H17F4N3O2 and a molecular weight of 407.37 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide
PubChem CID55853865
Molecular FormulaC20H17F4N3O2
Molecular Weight407.37 g/mol
Exact Mass407.13
IUPAC Name7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)NCCOc3cccc(C(F)(F)F)c3)c2nc1C
InChIInChI=1S/C20H17F4N3O2/c1-11-12(2)27-18-16(9-14(21)10-17(18)26-11)19(28)25-6-7-29-15-5-3-4-13(8-15)20(22,23)24/h3-5,8-10H,6-7H2,1-2H3,(H,25,28)
InChIKeyQFSRRELXIFADAC-UHFFFAOYSA-N
XLogP4.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 54.21
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

7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide
CID 55823828
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide
CID 52655302
1-(4-fluorophenyl)-5-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]triazole-4-carboxamide
CID 55803536
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
1-(3-hydroxypropyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 110894379
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
4-bromo-3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803408
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-N-[3-[3-(trifluoromethyl)phenoxy]propyl]pyridine-4-carboxamide
CID 71547711

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide (CID 55853865) is 7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide is Cc1nc2cc(F)cc(C(=O)NCCOc3cccc(C(F)(F)F)c3)c2nc1C.
What is the InChIKey of 7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide?
The InChIKey is QFSRRELXIFADAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O2/c1-11-12(2)27-18-16(9-14(21)10-17(18)26-11)19(28)25-6-7-29-15-5-3-4-13(8-15)20(22,23)24/h3-5,8-10H,6-7H2,1-2H3,(H,25,28).
What are the key properties of 7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide?
7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide has a molecular weight of 407.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 55853865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).