2-bromo-N-(3-iodopropyl)furan-3-carboxamide

C8H9BrINO2 — CID 106856228

IUPAC2-bromo-N-(3-iodopropyl)furan-3-carboxamide
SMILESO=C(NCCCI)c1ccoc1Br
InChIInChI=1S/C8H9BrINO2/c9-7-6(2-5-13-7)8(12)11-4-1-3-10/h2,5H,1,3-4H2,(H,11,12)
InChIKeyVBUGNUATXBZPIB-UHFFFAOYSA-N
MW357.97 g/mol
LogP2.60
Rot. Bonds4

About 2-bromo-N-(3-iodopropyl)furan-3-carboxamide

2-bromo-N-(3-iodopropyl)furan-3-carboxamide (PubChem CID 106856228) has the molecular formula C8H9BrINO2 and a molecular weight of 357.97 g/mol. Its IUPAC name is 2-bromo-N-(3-iodopropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-iodopropyl)furan-3-carboxamide
PubChem CID106856228
Molecular FormulaC8H9BrINO2
Molecular Weight357.97 g/mol
Exact Mass356.89
IUPAC Name2-bromo-N-(3-iodopropyl)furan-3-carboxamide
SMILESO=C(NCCCI)c1ccoc1Br
InChIInChI=1S/C8H9BrINO2/c9-7-6(2-5-13-7)8(12)11-4-1-3-10/h2,5H,1,3-4H2,(H,11,12)
InChIKeyVBUGNUATXBZPIB-UHFFFAOYSA-N
XLogP2.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 52.60
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036
2-bromo-N-[3-(ethylamino)propyl]furan-3-carboxamide
CID 106855035
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493
2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide
CID 106898976
N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
CID 106850800
2-bromo-N-(3-bromopentyl)furan-3-carboxamide
CID 106856213
2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
CID 106898564
2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide
CID 106852683
2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide
CID 106855106
2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide
CID 107231304
N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide
CID 106852949

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-iodopropyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-iodopropyl)furan-3-carboxamide (CID 106856228) is 2-bromo-N-(3-iodopropyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-iodopropyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-iodopropyl)furan-3-carboxamide is O=C(NCCCI)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(3-iodopropyl)furan-3-carboxamide?
The InChIKey is VBUGNUATXBZPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrINO2/c9-7-6(2-5-13-7)8(12)11-4-1-3-10/h2,5H,1,3-4H2,(H,11,12).
What are the key properties of 2-bromo-N-(3-iodopropyl)furan-3-carboxamide?
2-bromo-N-(3-iodopropyl)furan-3-carboxamide has a molecular weight of 357.97 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-iodopropyl)furan-3-carboxamide is sourced from PubChem (CID 106856228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).