2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide

C11H16BrNO3 — CID 106854125

IUPAC2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccoc1Br
InChIInChI=1S/C11H16BrNO3/c1-4-13(7-11(2,3)15)10(14)8-5-6-16-9(8)12/h5-6,15H,4,7H2,1-3H3
InChIKeyLAQIYYYVJMOHDA-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.28
Rot. Bonds4

About 2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide

2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide (PubChem CID 106854125) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide
PubChem CID106854125
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccoc1Br
InChIInChI=1S/C11H16BrNO3/c1-4-13(7-11(2,3)15)10(14)8-5-6-16-9(8)12/h5-6,15H,4,7H2,1-3H3
InChIKeyLAQIYYYVJMOHDA-UHFFFAOYSA-N
XLogP2.28
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
CID 106853790
N-(3-amino-3-sulfanylidenepropyl)-2-bromo-N-ethylfuran-3-carboxamide
CID 106852180
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylfuran-3-carboxamide
CID 106854337
5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381321
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79377923
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686648
N-ethyl-2,3,4,5-tetrafluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380809
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 81443183

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide (CID 106854125) is 2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide is CCN(CC(C)(C)O)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide?
The InChIKey is LAQIYYYVJMOHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-4-13(7-11(2,3)15)10(14)8-5-6-16-9(8)12/h5-6,15H,4,7H2,1-3H3.
What are the key properties of 2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide?
2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide has a molecular weight of 290.16 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide is sourced from PubChem (CID 106854125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).