5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide

C11H16BrNO2 — CID 107908125

IUPAC5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
SMILESCN(Cc1ccco1)C(=O)CCCCBr
InChIInChI=1S/C11H16BrNO2/c1-13(9-10-5-4-8-15-10)11(14)6-2-3-7-12/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyXFWFSFFYABLHDQ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.80
Rot. Bonds6

About 5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide

5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide (PubChem CID 107908125) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide.

Molecular Properties

Compound Name5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
PubChem CID107908125
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
SMILESCN(Cc1ccco1)C(=O)CCCCBr
InChIInChI=1S/C11H16BrNO2/c1-13(9-10-5-4-8-15-10)11(14)6-2-3-7-12/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyXFWFSFFYABLHDQ-UHFFFAOYSA-N
XLogP2.80
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide
CID 112761055
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 18109840
N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 13203418
4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 112761133
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 27739569
3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 80704733
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide?
The IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide (CID 107908125) is 5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide.
What is the SMILES notation for 5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide?
The canonical SMILES for 5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide is CN(Cc1ccco1)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide?
The InChIKey is XFWFSFFYABLHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-13(9-10-5-4-8-15-10)11(14)6-2-3-7-12/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of 5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide?
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide has a molecular weight of 274.16 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide is sourced from PubChem (CID 107908125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).