2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide

C10H14BrNO3 — CID 106854194

IUPAC2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
SMILESCC(C)(CO)CNC(=O)c1ccoc1Br
InChIInChI=1S/C10H14BrNO3/c1-10(2,6-13)5-12-9(14)7-3-4-15-8(7)11/h3-4,13H,5-6H2,1-2H3,(H,12,14)
InChIKeyYNCXEWJQMZDXCN-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.79
Rot. Bonds4

About 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide

2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide (PubChem CID 106854194) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
PubChem CID106854194
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide
SMILESCC(C)(CO)CNC(=O)c1ccoc1Br
InChIInChI=1S/C10H14BrNO3/c1-10(2,6-13)5-12-9(14)7-3-4-15-8(7)11/h3-4,13H,5-6H2,1-2H3,(H,12,14)
InChIKeyYNCXEWJQMZDXCN-UHFFFAOYSA-N
XLogP1.79
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide
CID 106854343
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)furan-3-carboxamide
CID 106898975
2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 115360486
2-bromo-N-(2-chloro-3-methylbutyl)furan-3-carboxamide
CID 106856206
3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113349822
2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylfuran-3-carboxamide
CID 106854337
2-bromo-N-(2-hydroxy-3-methylbutyl)furan-3-carboxamide
CID 106854363
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
2-bromo-N-[3-(ethylamino)propyl]furan-3-carboxamide
CID 106855035
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide (CID 106854194) is 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide is CC(C)(CO)CNC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide?
The InChIKey is YNCXEWJQMZDXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-10(2,6-13)5-12-9(14)7-3-4-15-8(7)11/h3-4,13H,5-6H2,1-2H3,(H,12,14).
What are the key properties of 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide?
2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide has a molecular weight of 276.13 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)furan-3-carboxamide is sourced from PubChem (CID 106854194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).