4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

C16H12BrFN2O3 — CID 2649350

IUPAC4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2ccc(F)cc2Br)c2ccccc2N1
InChIInChI=1S/C16H12BrFN2O3/c17-11-7-10(18)5-6-14(11)23-9-16(22)20-8-15(21)19-12-3-1-2-4-13(12)20/h1-7H,8-9H2,(H,19,21)
InChIKeyGRMUDBYZMMREEY-UHFFFAOYSA-N
MW379.19 g/mol
LogP2.95
Rot. Bonds3

About 4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2649350) has the molecular formula C16H12BrFN2O3 and a molecular weight of 379.19 g/mol. Its IUPAC name is 4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2649350
Molecular FormulaC16H12BrFN2O3
Molecular Weight379.19 g/mol
Exact Mass378.00
IUPAC Name4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2ccc(F)cc2Br)c2ccccc2N1
InChIInChI=1S/C16H12BrFN2O3/c17-11-7-10(18)5-6-14(11)23-9-16(22)20-8-15(21)19-12-3-1-2-4-13(12)20/h1-7H,8-9H2,(H,19,21)
InChIKeyGRMUDBYZMMREEY-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (CID 2649350) is 4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)COc2ccc(F)cc2Br)c2ccccc2N1.
What is the InChIKey of 4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is GRMUDBYZMMREEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O3/c17-11-7-10(18)5-6-14(11)23-9-16(22)20-8-15(21)19-12-3-1-2-4-13(12)20/h1-7H,8-9H2,(H,19,21).
What are the key properties of 4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 379.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-4-fluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2649350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).