N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide

C23H17F2N3O3 — CID 171350283

IUPACN-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2ccc3[nH]c(=O)c(C)nc3c2)c1
InChIInChI=1S/C23H17F2N3O3/c1-12-23(30)28-19-6-3-14(9-20(19)26-12)17-11-16(27-13(2)29)5-8-21(17)31-22-7-4-15(24)10-18(22)25/h3-11H,1-2H3,(H,27,29)(H,28,30)
InChIKeySCWAFDGYHNYXCI-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.93
Rot. Bonds4

About N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide

N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide (PubChem CID 171350283) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide
PubChem CID171350283
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2ccc3[nH]c(=O)c(C)nc3c2)c1
InChIInChI=1S/C23H17F2N3O3/c1-12-23(30)28-19-6-3-14(9-20(19)26-12)17-11-16(27-13(2)29)5-8-21(17)31-22-7-4-15(24)10-18(22)25/h3-11H,1-2H3,(H,27,29)(H,28,30)
InChIKeySCWAFDGYHNYXCI-UHFFFAOYSA-N
XLogP4.93
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide (CID 171350283) is N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2ccc3[nH]c(=O)c(C)nc3c2)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide?
The InChIKey is SCWAFDGYHNYXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c1-12-23(30)28-19-6-3-14(9-20(19)26-12)17-11-16(27-13(2)29)5-8-21(17)31-22-7-4-15(24)10-18(22)25/h3-11H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide?
N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide has a molecular weight of 421.40 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(3-methyl-2-oxo-1H-quinoxalin-6-yl)phenyl]acetamide is sourced from PubChem (CID 171350283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).