N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide

C15H17BrN2O2 — CID 66213648

IUPACN-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(C(=O)c1cc2cccc(Br)c2o1)C1CNC1
InChIInChI=1S/C15H17BrN2O2/c1-2-6-18(11-8-17-9-11)15(19)13-7-10-4-3-5-12(16)14(10)20-13/h3-5,7,11,17H,2,6,8-9H2,1H3
InChIKeyNYSPAMQNQSCWEP-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.02
Rot. Bonds4

About N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide

N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide (PubChem CID 66213648) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide
PubChem CID66213648
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(C(=O)c1cc2cccc(Br)c2o1)C1CNC1
InChIInChI=1S/C15H17BrN2O2/c1-2-6-18(11-8-17-9-11)15(19)13-7-10-4-3-5-12(16)14(10)20-13/h3-5,7,11,17H,2,6,8-9H2,1H3
InChIKeyNYSPAMQNQSCWEP-UHFFFAOYSA-N
XLogP3.02
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-7-bromo-N-ethyl-1-benzofuran-2-carboxamide
CID 66181896
N-(azetidin-3-yl)-5-chloro-N-propylfuran-2-carboxamide
CID 66183740
N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide
CID 66181389
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458
7-bromo-N-ethyl-N-phenyl-1-benzofuran-2-carboxamide
CID 38925942
N-(azetidin-3-yl)-5-bromo-N-propylthiophene-2-carboxamide
CID 66182885
N-(azetidin-3-yl)-3-bromo-4-fluoro-N-propylbenzamide
CID 107956199
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 115323833
1-(7-bromo-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093405
7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55684638
7-bromo-1-benzofuran-2-carboxamide
CID 47331810

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide (CID 66213648) is N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide is CCCN(C(=O)c1cc2cccc(Br)c2o1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide?
The InChIKey is NYSPAMQNQSCWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-2-6-18(11-8-17-9-11)15(19)13-7-10-4-3-5-12(16)14(10)20-13/h3-5,7,11,17H,2,6,8-9H2,1H3.
What are the key properties of N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide?
N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 66213648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).