2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide

C10H14BrNO2 — CID 63680874

IUPAC2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
SMILESCc1cc(C(C)NC(=O)CBr)c(C)o1
InChIInChI=1S/C10H14BrNO2/c1-6-4-9(8(3)14-6)7(2)12-10(13)5-11/h4,7H,5H2,1-3H3,(H,12,13)
InChIKeyJTFOIBBGJCJRQG-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.47
Rot. Bonds3

About 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide

2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide (PubChem CID 63680874) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
PubChem CID63680874
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
SMILESCc1cc(C(C)NC(=O)CBr)c(C)o1
InChIInChI=1S/C10H14BrNO2/c1-6-4-9(8(3)14-6)7(2)12-10(13)5-11/h4,7H,5H2,1-3H3,(H,12,13)
InChIKeyJTFOIBBGJCJRQG-UHFFFAOYSA-N
XLogP2.47
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide 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

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine
CID 62361367
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 86852245
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 94214954
(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049969
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97067878

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide (CID 63680874) is 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide is Cc1cc(C(C)NC(=O)CBr)c(C)o1.
What is the InChIKey of 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide?
The InChIKey is JTFOIBBGJCJRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6-4-9(8(3)14-6)7(2)12-10(13)5-11/h4,7H,5H2,1-3H3,(H,12,13).
What are the key properties of 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide?
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide has a molecular weight of 260.13 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide is sourced from PubChem (CID 63680874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).