2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone

C12H16BrNO2 — CID 104653573

IUPAC2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone
SMILESO=C(CC1CCCCCN1)c1ccc(Br)o1
InChIInChI=1S/C12H16BrNO2/c13-12-6-5-11(16-12)10(15)8-9-4-2-1-3-7-14-9/h5-6,9,14H,1-4,7-8H2
InChIKeyLTGVFGWJODGYOJ-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.15
Rot. Bonds3

About 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone

2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone (PubChem CID 104653573) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone
PubChem CID104653573
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone
SMILESO=C(CC1CCCCCN1)c1ccc(Br)o1
InChIInChI=1S/C12H16BrNO2/c13-12-6-5-11(16-12)10(15)8-9-4-2-1-3-7-14-9/h5-6,9,14H,1-4,7-8H2
InChIKeyLTGVFGWJODGYOJ-UHFFFAOYSA-N
XLogP3.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone
CID 79538933
1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
CID 129368395
5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]furan-2-carboxamide
CID 104972060
2-(azocan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanone
CID 114239637
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703
2-(azepan-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 106758315
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
CID 114736387
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone?
The IUPAC name of 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone (CID 104653573) is 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone.
What is the SMILES notation for 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone?
The canonical SMILES for 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone is O=C(CC1CCCCCN1)c1ccc(Br)o1.
What is the InChIKey of 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone?
The InChIKey is LTGVFGWJODGYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-12-6-5-11(16-12)10(15)8-9-4-2-1-3-7-14-9/h5-6,9,14H,1-4,7-8H2.
What are the key properties of 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone?
2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone has a molecular weight of 286.17 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-1-(5-bromofuran-2-yl)ethanone is sourced from PubChem (CID 104653573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).