N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride

C13H16BrClN2O2 — CID 119494957

IUPACN-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc2cc(Br)ccc2o1.Cl
InChIInChI=1S/C13H15BrN2O2.ClH/c1-8(15)4-5-16-13(17)12-7-9-6-10(14)2-3-11(9)18-12;/h2-3,6-8H,4-5,15H2,1H3,(H,16,17);1H
InChIKeyVTWIUABAUNBAAV-UHFFFAOYSA-N
MW347.64 g/mol
LogP3.08
Rot. Bonds4

About N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride

N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119494957) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119494957
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC NameN-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc2cc(Br)ccc2o1.Cl
InChIInChI=1S/C13H15BrN2O2.ClH/c1-8(15)4-5-16-13(17)12-7-9-6-10(14)2-3-11(9)18-12;/h2-3,6-8H,4-5,15H2,1H3,(H,16,17);1H
InChIKeyVTWIUABAUNBAAV-UHFFFAOYSA-N
XLogP3.08
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120830398
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 120830399
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
5-bromo-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 110279904
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
5-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 55723615
5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119509944
5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide
CID 35760932

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride (CID 119494957) is N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride is CC(N)CCNC(=O)c1cc2cc(Br)ccc2o1.Cl.
What is the InChIKey of N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is VTWIUABAUNBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2.ClH/c1-8(15)4-5-16-13(17)12-7-9-6-10(14)2-3-11(9)18-12;/h2-3,6-8H,4-5,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride?
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 347.64 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119494957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).