N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide

C11H6BrClN2O4 — CID 103479831

IUPACN-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H6BrClN2O4/c12-10-6(13)2-1-3-7(10)14-11(16)8-4-5-9(19-8)15(17)18/h1-5H,(H,14,16)
InChIKeyANZITFCAKCPJAT-UHFFFAOYSA-N
MW345.54 g/mol
LogP3.86
Rot. Bonds3

About N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide

N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide (PubChem CID 103479831) has the molecular formula C11H6BrClN2O4 and a molecular weight of 345.54 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide
PubChem CID103479831
Molecular FormulaC11H6BrClN2O4
Molecular Weight345.54 g/mol
Exact Mass343.92
IUPAC NameN-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H6BrClN2O4/c12-10-6(13)2-1-3-7(10)14-11(16)8-4-5-9(19-8)15(17)18/h1-5H,(H,14,16)
InChIKeyANZITFCAKCPJAT-UHFFFAOYSA-N
XLogP3.86
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
CID 952498
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-(2-bromo-4-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 81028624
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
N-[2-(1-chloroethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 114304944
N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide
CID 115683192
5-nitro-N-(2-sulfamoylphenyl)furan-2-carboxamide
CID 61128250
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818
5-nitro-N-quinolin-8-ylfuran-2-carboxamide
CID 935321
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide (CID 103479831) is N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide is O=C(Nc1cccc(Cl)c1Br)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is ANZITFCAKCPJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2O4/c12-10-6(13)2-1-3-7(10)14-11(16)8-4-5-9(19-8)15(17)18/h1-5H,(H,14,16).
What are the key properties of N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide?
N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 345.54 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 103479831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).