N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide

C17H12F3N3O — CID 44581675

IUPACN-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide
SMILESCC(=O)Nc1cnc2cc(C(F)(F)F)cc(-c3ccccc3)c2n1
InChIInChI=1S/C17H12F3N3O/c1-10(24)22-15-9-21-14-8-12(17(18,19)20)7-13(16(14)23-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,22,23,24)
InChIKeyKZPZOACQNZIDNK-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.27
Rot. Bonds2

About N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide

N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide (PubChem CID 44581675) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide
PubChem CID44581675
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC NameN-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide
SMILESCC(=O)Nc1cnc2cc(C(F)(F)F)cc(-c3ccccc3)c2n1
InChIInChI=1S/C17H12F3N3O/c1-10(24)22-15-9-21-14-8-12(17(18,19)20)7-13(16(14)23-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,22,23,24)
InChIKeyKZPZOACQNZIDNK-UHFFFAOYSA-N
XLogP4.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide?
The IUPAC name of N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide (CID 44581675) is N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide.
What is the SMILES notation for N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide?
The canonical SMILES for N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide is CC(=O)Nc1cnc2cc(C(F)(F)F)cc(-c3ccccc3)c2n1.
What is the InChIKey of N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide?
The InChIKey is KZPZOACQNZIDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c1-10(24)22-15-9-21-14-8-12(17(18,19)20)7-13(16(14)23-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,22,23,24).
What are the key properties of N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide?
N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide has a molecular weight of 331.30 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]acetamide is sourced from PubChem (CID 44581675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).