N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide

C11H15BrN2O4 — CID 113276420

IUPACN-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide
SMILESCCC(CCBr)CNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H15BrN2O4/c1-2-8(5-6-12)7-13-11(15)9-3-4-10(18-9)14(16)17/h3-4,8H,2,5-7H2,1H3,(H,13,15)
InChIKeyWIFIDKFLALUANF-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.73
Rot. Bonds7

About N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide

N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide (PubChem CID 113276420) has the molecular formula C11H15BrN2O4 and a molecular weight of 319.16 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide
PubChem CID113276420
Molecular FormulaC11H15BrN2O4
Molecular Weight319.16 g/mol
Exact Mass318.02
IUPAC NameN-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide
SMILESCCC(CCBr)CNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H15BrN2O4/c1-2-8(5-6-12)7-13-11(15)9-3-4-10(18-9)14(16)17/h3-4,8H,2,5-7H2,1H3,(H,13,15)
InChIKeyWIFIDKFLALUANF-UHFFFAOYSA-N
XLogP2.73
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromo-2-ethylbutyl)-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-(5-bromopentyl)-5-nitrofuran-2-carboxamide
CID 107321741
N-[2-(bromomethyl)-2-ethylbutyl]-5-nitrofuran-2-carboxamide
CID 106255029
N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide
CID 107157274
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-(3-chloro-3-methyl-2-nitrosobutyl)-5-nitrofuran-2-carboxamide
CID 18929168
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]-5-nitrofuran-2-carboxamide
CID 51082850
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
2-hydroxy-4-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 114006197
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide (CID 113276420) is N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide is CCC(CCBr)CNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide?
The InChIKey is WIFIDKFLALUANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4/c1-2-8(5-6-12)7-13-11(15)9-3-4-10(18-9)14(16)17/h3-4,8H,2,5-7H2,1H3,(H,13,15).
What are the key properties of N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide?
N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 113276420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).