3-[(3-bromofuran-2-yl)methylamino]propanamide

C8H11BrN2O2 — CID 103931804

IUPAC3-[(3-bromofuran-2-yl)methylamino]propanamide
SMILESNC(=O)CCNCc1occc1Br
InChIInChI=1S/C8H11BrN2O2/c9-6-2-4-13-7(6)5-11-3-1-8(10)12/h2,4,11H,1,3,5H2,(H2,10,12)
InChIKeyRBUNFRKOHJFSLS-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.01
Rot. Bonds5

About 3-[(3-bromofuran-2-yl)methylamino]propanamide

3-[(3-bromofuran-2-yl)methylamino]propanamide (PubChem CID 103931804) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 3-[(3-bromofuran-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(3-bromofuran-2-yl)methylamino]propanamide
PubChem CID103931804
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name3-[(3-bromofuran-2-yl)methylamino]propanamide
SMILESNC(=O)CCNCc1occc1Br
InChIInChI=1S/C8H11BrN2O2/c9-6-2-4-13-7(6)5-11-3-1-8(10)12/h2,4,11H,1,3,5H2,(H2,10,12)
InChIKeyRBUNFRKOHJFSLS-UHFFFAOYSA-N
XLogP1.01
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromofuran-2-yl)methylamino]propanoic acid
CID 106885107
3-[(3-bromofuran-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113237793
3-[(3-bromofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113237827
N-[(3-bromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 103675162
N-[(3-bromofuran-2-yl)methyl]but-2-yn-1-amine
CID 103868568
3-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide
CID 43553153
methyl 2-[(3-bromofuran-2-yl)methylamino]-3-methylbutanoate
CID 103275052
methyl (2S)-2-[(3-bromofuran-2-yl)methylamino]-3-methylbutanoate
CID 106885193
3-[(4-hydroxyphenyl)methylamino]propanamide
CID 43553347
4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126995
3-[(3,5-dibromo-2-hydroxyphenyl)methylamino]propanamide
CID 104586806
N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694494

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromofuran-2-yl)methylamino]propanamide?
The IUPAC name of 3-[(3-bromofuran-2-yl)methylamino]propanamide (CID 103931804) is 3-[(3-bromofuran-2-yl)methylamino]propanamide.
What is the SMILES notation for 3-[(3-bromofuran-2-yl)methylamino]propanamide?
The canonical SMILES for 3-[(3-bromofuran-2-yl)methylamino]propanamide is NC(=O)CCNCc1occc1Br.
What is the InChIKey of 3-[(3-bromofuran-2-yl)methylamino]propanamide?
The InChIKey is RBUNFRKOHJFSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c9-6-2-4-13-7(6)5-11-3-1-8(10)12/h2,4,11H,1,3,5H2,(H2,10,12).
What are the key properties of 3-[(3-bromofuran-2-yl)methylamino]propanamide?
3-[(3-bromofuran-2-yl)methylamino]propanamide has a molecular weight of 247.09 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromofuran-2-yl)methylamino]propanamide is sourced from PubChem (CID 103931804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).