5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide

C11H16BrNO2 — CID 107908289

IUPAC5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide
SMILESCC(NC(=O)CCCCBr)c1ccco1
InChIInChI=1S/C11H16BrNO2/c1-9(10-5-4-8-15-10)13-11(14)6-2-3-7-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyHDQOQOUZNMCGOY-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.02
Rot. Bonds6

About 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide

5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide (PubChem CID 107908289) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide
PubChem CID107908289
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide
SMILESCC(NC(=O)CCCCBr)c1ccco1
InChIInChI=1S/C11H16BrNO2/c1-9(10-5-4-8-15-10)13-11(14)6-2-3-7-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyHDQOQOUZNMCGOY-UHFFFAOYSA-N
XLogP3.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide 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

4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide
CID 9481896
4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide
CID 9481980
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
6-amino-N-[1-(furan-2-yl)ethyl]-4,4-dimethylhexanamide
CID 65293020
4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
CID 63324031
3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 81400565
5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 107910353
N-[(1S)-1-(furan-2-yl)ethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 39966737
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide (CID 107908289) is 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide is CC(NC(=O)CCCCBr)c1ccco1.
What is the InChIKey of 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide?
The InChIKey is HDQOQOUZNMCGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-9(10-5-4-8-15-10)13-11(14)6-2-3-7-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide?
5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide has a molecular weight of 274.16 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide is sourced from PubChem (CID 107908289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).