5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide

C14H20BrNO2 — CID 55774303

IUPAC5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NCCCC1CCCC1
InChIInChI=1S/C14H20BrNO2/c1-10-9-12(15)18-13(10)14(17)16-8-4-7-11-5-2-3-6-11/h9,11H,2-8H2,1H3,(H,16,17)
InChIKeyZDIZMVWSHQATQT-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.05
Rot. Bonds5

About 5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide

5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide (PubChem CID 55774303) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
PubChem CID55774303
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NCCCC1CCCC1
InChIInChI=1S/C14H20BrNO2/c1-10-9-12(15)18-13(10)14(17)16-8-4-7-11-5-2-3-6-11/h9,11H,2-8H2,1H3,(H,16,17)
InChIKeyZDIZMVWSHQATQT-UHFFFAOYSA-N
XLogP4.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide
CID 136526522
N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 78866046
3,5-dibromo-N-(3-cyclopentylpropyl)benzamide
CID 106012306
4-bromo-N-(3-cyclopentylpropyl)-1-methylpyrrole-2-carboxamide
CID 113221337
5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide
CID 47242145
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
CID 106012286
5-bromo-N-[(1S,2R,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylfuran-2-carboxamide
CID 98234418
5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 47055377
N-benzyl-5-bromo-3-methylfuran-2-carboxamide
CID 47242031
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
N-(3-cyclopentylpropyl)-3-ethylthiophene-2-carboxamide
CID 55996333

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide (CID 55774303) is 5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)NCCCC1CCCC1.
What is the InChIKey of 5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide?
The InChIKey is ZDIZMVWSHQATQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10-9-12(15)18-13(10)14(17)16-8-4-7-11-5-2-3-6-11/h9,11H,2-8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide?
5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide has a molecular weight of 314.22 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 55774303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).