2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C23H22ClN3O3 — CID 45202295

IUPAC2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCc1cnc(C)c(-c2ccc3c(c2)CC(CNC(=O)COc2ccc(Cl)cc2)O3)n1
InChIInChI=1S/C23H22ClN3O3/c1-14-11-25-15(2)23(27-14)16-3-8-21-17(9-16)10-20(30-21)12-26-22(28)13-29-19-6-4-18(24)5-7-19/h3-9,11,20H,10,12-13H2,1-2H3,(H,26,28)
InChIKeySVZMPDNYLIOWJM-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.91
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 45202295) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID45202295
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCc1cnc(C)c(-c2ccc3c(c2)CC(CNC(=O)COc2ccc(Cl)cc2)O3)n1
InChIInChI=1S/C23H22ClN3O3/c1-14-11-25-15(2)23(27-14)16-3-8-21-17(9-16)10-20(30-21)12-26-22(28)13-29-19-6-4-18(24)5-7-19/h3-9,11,20H,10,12-13H2,1-2H3,(H,26,28)
InChIKeySVZMPDNYLIOWJM-UHFFFAOYSA-N
XLogP3.91
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 45191075
2-(cyclohexen-1-yl)-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42538480
N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxane-4-carboxamide
CID 42190190
N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]furan-3-carboxamide
CID 42461633
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 45244803
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxypyridine-3-carboxamide
CID 45180649
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]quinoline-2-carboxamide
CID 45180650
2-(4-methylphenoxy)-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42272579
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 45184171
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylquinoline-4-carboxamide
CID 45166172
(2S)-2-acetamido-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylsulfanylbutanamide
CID 42372819
N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26341482

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 45202295) is 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is Cc1cnc(C)c(-c2ccc3c(c2)CC(CNC(=O)COc2ccc(Cl)cc2)O3)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is SVZMPDNYLIOWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-14-11-25-15(2)23(27-14)16-3-8-21-17(9-16)10-20(30-21)12-26-22(28)13-29-19-6-4-18(24)5-7-19/h3-9,11,20H,10,12-13H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 423.90 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 45202295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).