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

C24H22F3N3O2 — CID 45244803

IUPACN-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cnc(C)c(-c2ccc3c(c2)CC(CNC(=O)Cc2cccc(C(F)(F)F)c2)O3)n1
InChIInChI=1S/C24H22F3N3O2/c1-14-12-28-15(2)23(30-14)17-6-7-21-18(10-17)11-20(32-21)13-29-22(31)9-16-4-3-5-19(8-16)24(25,26)27/h3-8,10,12,20H,9,11,13H2,1-2H3,(H,29,31)
InChIKeyRHHFRTJBWUJCGU-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.44
Rot. Bonds5

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

N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 45244803) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID45244803
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cnc(C)c(-c2ccc3c(c2)CC(CNC(=O)Cc2cccc(C(F)(F)F)c2)O3)n1
InChIInChI=1S/C24H22F3N3O2/c1-14-12-28-15(2)23(30-14)17-6-7-21-18(10-17)11-20(32-21)13-29-22(31)9-16-4-3-5-19(8-16)24(25,26)27/h3-8,10,12,20H,9,11,13H2,1-2H3,(H,29,31)
InChIKeyRHHFRTJBWUJCGU-UHFFFAOYSA-N
XLogP4.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 45244803) is N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1cnc(C)c(-c2ccc3c(c2)CC(CNC(=O)Cc2cccc(C(F)(F)F)c2)O3)n1.
What is the InChIKey of N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RHHFRTJBWUJCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-14-12-28-15(2)23(30-14)17-6-7-21-18(10-17)11-20(32-21)13-29-22(31)9-16-4-3-5-19(8-16)24(25,26)27/h3-8,10,12,20H,9,11,13H2,1-2H3,(H,29,31).
What are the key properties of N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 441.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 45244803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).