(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone

C12H11BrN2O2 — CID 65244577

IUPAC(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
SMILESNC1CN(C(=O)c2cc3cccc(Br)c3o2)C1
InChIInChI=1S/C12H11BrN2O2/c13-9-3-1-2-7-4-10(17-11(7)9)12(16)15-5-8(14)6-15/h1-4,8H,5-6,14H2
InChIKeyUBIWWCPBAKPCHI-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.98
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone

(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone (PubChem CID 65244577) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
PubChem CID65244577
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
SMILESNC1CN(C(=O)c2cc3cccc(Br)c3o2)C1
InChIInChI=1S/C12H11BrN2O2/c13-9-3-1-2-7-4-10(17-11(7)9)12(16)15-5-8(14)6-15/h1-4,8H,5-6,14H2
InChIKeyUBIWWCPBAKPCHI-UHFFFAOYSA-N
XLogP1.98
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-cyclopropyl-1-benzofuran-2-carboxamide
CID 894902
5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide
CID 2991779
Azetidin-1-yl-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 9360455
(5-Bromo-3-methyl-1-benzofuran-2-yl)-pyrrolidin-1-ylmethanone
CID 18108555
N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 9079958
Benzofuran-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 2952496
3-methyl-N-[1-(piperidin-1-yl)propan-2-yl]-1-benzofuran-2-carboxamide
CID 2970485
1-[(5-Bromo-1-benzofuran-2-yl)carbonyl]pyrrolidine
CID 2985531
1-[(5-Bromo-1-benzofuran-2-yl)carbonyl]piperidine
CID 2986704
5-bromo-N-(2-furylmethyl)-1-benzofuran-2-carboxamide
CID 2987366
5-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4966753

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone (CID 65244577) is (3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone is NC1CN(C(=O)c2cc3cccc(Br)c3o2)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone?
The InChIKey is UBIWWCPBAKPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-9-3-1-2-7-4-10(17-11(7)9)12(16)15-5-8(14)6-15/h1-4,8H,5-6,14H2.
What are the key properties of (3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone?
(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone has a molecular weight of 295.14 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 65244577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).