N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide

C9H13BrN2O2 — CID 119627230

IUPACN-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
SMILESCC(C)(N)CNC(=O)c1coc(Br)c1
InChIInChI=1S/C9H13BrN2O2/c1-9(2,11)5-12-8(13)6-3-7(10)14-4-6/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyZIYGKUYHMDOFQT-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.51
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide

N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide (PubChem CID 119627230) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
PubChem CID119627230
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC NameN-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
SMILESCC(C)(N)CNC(=O)c1coc(Br)c1
InChIInChI=1S/C9H13BrN2O2/c1-9(2,11)5-12-8(13)6-3-7(10)14-4-6/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyZIYGKUYHMDOFQT-UHFFFAOYSA-N
XLogP1.51
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromofuran-3-carbonyl)amino]-2-methylpropanoic acid
CID 115731390
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
5-bromo-N-(2,2-difluoroethyl)furan-3-carboxamide
CID 131041505
N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
CID 114818535
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
5-bromofuran-3-carboxamide
CID 10821494
4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204071
N'-acetyl-5-bromofuran-3-carbohydrazide
CID 130748449
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide
CID 114820786
2-[2-[(5-bromofuran-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 115731506

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide (CID 119627230) is N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide is CC(C)(N)CNC(=O)c1coc(Br)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide?
The InChIKey is ZIYGKUYHMDOFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-9(2,11)5-12-8(13)6-3-7(10)14-4-6/h3-4H,5,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide?
N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide has a molecular weight of 261.12 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide is sourced from PubChem (CID 119627230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).