5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide

C13H15BrN2O2 — CID 120830399

IUPAC5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
SMILESCNC(C)CNC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C13H15BrN2O2/c1-8(15-2)7-16-13(17)12-6-9-5-10(14)3-4-11(9)18-12/h3-6,8,15H,7H2,1-2H3,(H,16,17)
InChIKeyXPZSJLYZJILWSO-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.53
Rot. Bonds4

About 5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide

5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide (PubChem CID 120830399) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
PubChem CID120830399
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
SMILESCNC(C)CNC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C13H15BrN2O2/c1-8(15-2)7-16-13(17)12-6-9-5-10(14)3-4-11(9)18-12/h3-6,8,15H,7H2,1-2H3,(H,16,17)
InChIKeyXPZSJLYZJILWSO-UHFFFAOYSA-N
XLogP2.53
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.53
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-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 110279904
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
5-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55798246
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
CID 43822479
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide (CID 120830399) is 5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide is CNC(C)CNC(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is XPZSJLYZJILWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8(15-2)7-16-13(17)12-6-9-5-10(14)3-4-11(9)18-12/h3-6,8,15H,7H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide?
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 120830399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).