5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide

C11H14BrNO2 — CID 115635897

IUPAC5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
SMILESO=C(NCCCC1CC1)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO2/c12-10-6-5-9(15-10)11(14)13-7-1-2-8-3-4-8/h5-6,8H,1-4,7H2,(H,13,14)
InChIKeyLXFUFPZDOWIDRM-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.96
Rot. Bonds5

About 5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide

5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide (PubChem CID 115635897) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
PubChem CID115635897
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
SMILESO=C(NCCCC1CC1)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO2/c12-10-6-5-9(15-10)11(14)13-7-1-2-8-3-4-8/h5-6,8H,1-4,7H2,(H,13,14)
InChIKeyLXFUFPZDOWIDRM-UHFFFAOYSA-N
XLogP2.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide 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

5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide
CID 106306986
5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]furan-2-carboxamide
CID 104972060
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78887055
5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47263424
5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide
CID 97180803
5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
CID 47060838
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide (CID 115635897) is 5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide is O=C(NCCCC1CC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide?
The InChIKey is LXFUFPZDOWIDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-10-6-5-9(15-10)11(14)13-7-1-2-8-3-4-8/h5-6,8H,1-4,7H2,(H,13,14).
What are the key properties of 5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide?
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide has a molecular weight of 272.14 g/mol, XLogP of 2.96, 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-cyclopropylpropyl)furan-2-carboxamide is sourced from PubChem (CID 115635897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).