N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide

C9H11BrN2O5 — CID 106184442

IUPACN-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide
SMILESCOCC(CBr)NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H11BrN2O5/c1-16-5-6(4-10)11-9(13)7-2-3-8(17-7)12(14)15/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyOPKDQMCHHUXZDK-UHFFFAOYSA-N
MW307.10 g/mol
LogP1.33
Rot. Bonds6

About N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide

N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide (PubChem CID 106184442) has the molecular formula C9H11BrN2O5 and a molecular weight of 307.10 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide
PubChem CID106184442
Molecular FormulaC9H11BrN2O5
Molecular Weight307.10 g/mol
Exact Mass305.99
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide
SMILESCOCC(CBr)NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H11BrN2O5/c1-16-5-6(4-10)11-9(13)7-2-3-8(17-7)12(14)15/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyOPKDQMCHHUXZDK-UHFFFAOYSA-N
XLogP1.33
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-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

N-(1-bromo-3-methoxypropan-2-yl)-5-methylfuran-2-carboxamide
CID 106184775
N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
CID 63887141
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-(1-bromo-3-methoxypropan-2-yl)-2-methyl-6-nitrobenzamide
CID 106184128
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 113468312
N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
CID 106184915
tert-butyl (2R)-2-[(5-nitrofuran-2-carbonyl)amino]propanoate
CID 81003533
N-(1-bromo-3-methoxypropan-2-yl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 106184509
(2R)-3,3-dimethyl-2-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 93054958
N-(1-bromo-3-methoxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106184484
N-(1-bromo-3-methoxypropan-2-yl)-3-fluoro-5-nitrobenzamide
CID 106184238
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide (CID 106184442) is N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide is COCC(CBr)NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is OPKDQMCHHUXZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O5/c1-16-5-6(4-10)11-9(13)7-2-3-8(17-7)12(14)15/h2-3,6H,4-5H2,1H3,(H,11,13).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide?
N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 307.10 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 106184442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).