5-bromo-N,N-dibutylfuran-2-carboxamide

C13H20BrNO2 — CID 3627667

IUPAC5-bromo-N,N-dibutylfuran-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H20BrNO2/c1-3-5-9-15(10-6-4-2)13(16)11-7-8-12(14)17-11/h7-8H,3-6,9-10H2,1-2H3
InChIKeyDRJFFJDOFICLHJ-UHFFFAOYSA-N
MW302.21 g/mol
LogP4.08
Rot. Bonds7

About 5-bromo-N,N-dibutylfuran-2-carboxamide

5-bromo-N,N-dibutylfuran-2-carboxamide (PubChem CID 3627667) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 5-bromo-N,N-dibutylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-dibutylfuran-2-carboxamide
PubChem CID3627667
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name5-bromo-N,N-dibutylfuran-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H20BrNO2/c1-3-5-9-15(10-6-4-2)13(16)11-7-8-12(14)17-11/h7-8H,3-6,9-10H2,1-2H3
InChIKeyDRJFFJDOFICLHJ-UHFFFAOYSA-N
XLogP4.08
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromofuran-2-carbonyl)-propylamino]propanoic acid
CID 82325595
5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
CID 102993497
5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 60653081
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
1-(5-bromofuran-2-yl)heptan-1-one
CID 114752198
1-(5-bromofuran-2-yl)tridecan-1-one
CID 12603011
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide
CID 79667687
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
N,N-dibenzyl-5-bromofuran-2-carboxamide
CID 1042531
3-(5-bromofuran-2-yl)-1-butyl-1-propylurea
CID 108872929
5-amino-N,N-dipropylfuran-2-carboxamide
CID 82344196

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dibutylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N,N-dibutylfuran-2-carboxamide (CID 3627667) is 5-bromo-N,N-dibutylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N,N-dibutylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N,N-dibutylfuran-2-carboxamide is CCCCN(CCCC)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N,N-dibutylfuran-2-carboxamide?
The InChIKey is DRJFFJDOFICLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-3-5-9-15(10-6-4-2)13(16)11-7-8-12(14)17-11/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 5-bromo-N,N-dibutylfuran-2-carboxamide?
5-bromo-N,N-dibutylfuran-2-carboxamide has a molecular weight of 302.21 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dibutylfuran-2-carboxamide is sourced from PubChem (CID 3627667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).