N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C17H11BrF3N3O2 — CID 26197869

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C17H11BrF3N3O2/c18-12-6-5-10(7-11(12)17(19,20)21)23-15(25)9-24-14-4-2-1-3-13(14)22-8-16(24)26/h1-8H,9H2,(H,23,25)
InChIKeyOCRJTCSEKWDFCR-UHFFFAOYSA-N
MW426.19 g/mol
LogP3.82
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 26197869) has the molecular formula C17H11BrF3N3O2 and a molecular weight of 426.19 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID26197869
Molecular FormulaC17H11BrF3N3O2
Molecular Weight426.19 g/mol
Exact Mass425.00
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C17H11BrF3N3O2/c18-12-6-5-10(7-11(12)17(19,20)21)23-15(25)9-24-14-4-2-1-3-13(14)22-8-16(24)26/h1-8H,9H2,(H,23,25)
InChIKeyOCRJTCSEKWDFCR-UHFFFAOYSA-N
XLogP3.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 26197869) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is OCRJTCSEKWDFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3N3O2/c18-12-6-5-10(7-11(12)17(19,20)21)23-15(25)9-24-14-4-2-1-3-13(14)22-8-16(24)26/h1-8H,9H2,(H,23,25).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 426.19 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 26197869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).