5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane

C14H19BrN2O2 — CID 144679717

IUPAC5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane
SMILESCC.CNC(=O)c1c(C)oc2cc(NC)c(Br)cc12
InChIInChI=1S/C12H13BrN2O2.C2H6/c1-6-11(12(16)15-3)7-4-8(13)9(14-2)5-10(7)17-6;1-2/h4-5,14H,1-3H3,(H,15,16);1-2H3
InChIKeyBETLKGSJPGMRFE-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.93
Rot. Bonds2

About 5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane

5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane (PubChem CID 144679717) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane
PubChem CID144679717
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane
SMILESCC.CNC(=O)c1c(C)oc2cc(NC)c(Br)cc12
InChIInChI=1S/C12H13BrN2O2.C2H6/c1-6-11(12(16)15-3)7-4-8(13)9(14-2)5-10(7)17-6;1-2/h4-5,14H,1-3H3,(H,15,16);1-2H3
InChIKeyBETLKGSJPGMRFE-UHFFFAOYSA-N
XLogP3.93
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane?
The IUPAC name of 5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane (CID 144679717) is 5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane.
What is the SMILES notation for 5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane?
The canonical SMILES for 5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane is CC.CNC(=O)c1c(C)oc2cc(NC)c(Br)cc12.
What is the InChIKey of 5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane?
The InChIKey is BETLKGSJPGMRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2.C2H6/c1-6-11(12(16)15-3)7-4-8(13)9(14-2)5-10(7)17-6;1-2/h4-5,14H,1-3H3,(H,15,16);1-2H3.
What are the key properties of 5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane?
5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane has a molecular weight of 327.22 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane is sourced from PubChem (CID 144679717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).