N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide

C18H18F3N5O2 — CID 57027929

IUPACN-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC(C)c2cc3c(C)ccc(C)c3o2)nc(C(F)(F)F)n1
InChIInChI=1S/C18H18F3N5O2/c1-8-5-6-9(2)14-12(8)7-13(28-14)10(3)22-16-24-15(18(19,20)21)25-17(26-16)23-11(4)27/h5-7,10H,1-4H3,(H2,22,23,24,25,26,27)
InChIKeyJEUOMAYLYUSCJM-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.38
Rot. Bonds4

About N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide

N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide (PubChem CID 57027929) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
PubChem CID57027929
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC NameN-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC(C)c2cc3c(C)ccc(C)c3o2)nc(C(F)(F)F)n1
InChIInChI=1S/C18H18F3N5O2/c1-8-5-6-9(2)14-12(8)7-13(28-14)10(3)22-16-24-15(18(19,20)21)25-17(26-16)23-11(4)27/h5-7,10H,1-4H3,(H2,22,23,24,25,26,27)
InChIKeyJEUOMAYLYUSCJM-UHFFFAOYSA-N
XLogP4.38
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide (CID 57027929) is N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(NC(C)c2cc3c(C)ccc(C)c3o2)nc(C(F)(F)F)n1.
What is the InChIKey of N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
The InChIKey is JEUOMAYLYUSCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-8-5-6-9(2)14-12(8)7-13(28-14)10(3)22-16-24-15(18(19,20)21)25-17(26-16)23-11(4)27/h5-7,10H,1-4H3,(H2,22,23,24,25,26,27).
What are the key properties of N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide has a molecular weight of 393.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4,7-dimethyl-1-benzofuran-2-yl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 57027929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).