5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide

C11H13BrN2O3 — CID 114618727

IUPAC5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
SMILESC=C(C)CNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H13BrN2O3/c1-7(2)5-13-10(15)6-14-11(16)8-3-4-9(12)17-8/h3-4H,1,5-6H2,2H3,(H,13,15)(H,14,16)
InChIKeyNBLAODOECCYGLF-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.46
Rot. Bonds5

About 5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 114618727) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID114618727
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
SMILESC=C(C)CNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H13BrN2O3/c1-7(2)5-13-10(15)6-14-11(16)8-3-4-9(12)17-8/h3-4H,1,5-6H2,2H3,(H,13,15)(H,14,16)
InChIKeyNBLAODOECCYGLF-UHFFFAOYSA-N
XLogP1.46
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427115
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
5-bromo-N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 111483687
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
5-chloro-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606891
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide (CID 114618727) is 5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide is C=C(C)CNC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is NBLAODOECCYGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-7(2)5-13-10(15)6-14-11(16)8-3-4-9(12)17-8/h3-4H,1,5-6H2,2H3,(H,13,15)(H,14,16).
What are the key properties of 5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 114618727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).