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

C10H13Br2NO2 — CID 106856213

IUPAC2-bromo-N-(3-bromopentyl)furan-3-carboxamide
SMILESCCC(Br)CCNC(=O)c1ccoc1Br
InChIInChI=1S/C10H13Br2NO2/c1-2-7(11)3-5-13-10(14)8-4-6-15-9(8)12/h4,6-7H,2-3,5H2,1H3,(H,13,14)
InChIKeyTYMWPAILYFWKIM-UHFFFAOYSA-N
MW339.03 g/mol
LogP3.34
Rot. Bonds5

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

2-bromo-N-(3-bromopentyl)furan-3-carboxamide (PubChem CID 106856213) has the molecular formula C10H13Br2NO2 and a molecular weight of 339.03 g/mol. Its IUPAC name is 2-bromo-N-(3-bromopentyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromopentyl)furan-3-carboxamide
PubChem CID106856213
Molecular FormulaC10H13Br2NO2
Molecular Weight339.03 g/mol
Exact Mass336.93
IUPAC Name2-bromo-N-(3-bromopentyl)furan-3-carboxamide
SMILESCCC(Br)CCNC(=O)c1ccoc1Br
InChIInChI=1S/C10H13Br2NO2/c1-2-7(11)3-5-13-10(14)8-4-6-15-9(8)12/h4,6-7H,2-3,5H2,1H3,(H,13,14)
InChIKeyTYMWPAILYFWKIM-UHFFFAOYSA-N
XLogP3.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-(ethylamino)propyl]furan-3-carboxamide
CID 106855035
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
CID 106854363
N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036
2-bromo-N-(2-chloro-3-methylbutyl)furan-3-carboxamide
CID 106856206
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-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide
CID 106898975
2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
CID 106854194

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromopentyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-bromopentyl)furan-3-carboxamide (CID 106856213) is 2-bromo-N-(3-bromopentyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-bromopentyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-bromopentyl)furan-3-carboxamide is CCC(Br)CCNC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(3-bromopentyl)furan-3-carboxamide?
The InChIKey is TYMWPAILYFWKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2/c1-2-7(11)3-5-13-10(14)8-4-6-15-9(8)12/h4,6-7H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(3-bromopentyl)furan-3-carboxamide?
2-bromo-N-(3-bromopentyl)furan-3-carboxamide has a molecular weight of 339.03 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromopentyl)furan-3-carboxamide is sourced from PubChem (CID 106856213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).