ethane;5-nitro-N-phenylfuran-2-carboxamide

C13H14N2O4 — CID 145187045

IUPACethane;5-nitro-N-phenylfuran-2-carboxamide
SMILESCC.O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H8N2O4.C2H6/c14-11(12-8-4-2-1-3-5-8)9-6-7-10(17-9)13(15)16;1-2/h1-7H,(H,12,14);1-2H3
InChIKeyITRKJUWCNYXRNP-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.47
Rot. Bonds3

About ethane;5-nitro-N-phenylfuran-2-carboxamide

ethane;5-nitro-N-phenylfuran-2-carboxamide (PubChem CID 145187045) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is ethane;5-nitro-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Nameethane;5-nitro-N-phenylfuran-2-carboxamide
PubChem CID145187045
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Nameethane;5-nitro-N-phenylfuran-2-carboxamide
SMILESCC.O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H8N2O4.C2H6/c14-11(12-8-4-2-1-3-5-8)9-6-7-10(17-9)13(15)16;1-2/h1-7H,(H,12,14);1-2H3
InChIKeyITRKJUWCNYXRNP-UHFFFAOYSA-N
XLogP3.47
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.47
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-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
5-nitro-N-pyridin-1-ium-3-ylfuran-2-carboxamide
CID 4072489
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-nitrofuran-2-carboxamide
CID 24692016
N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 33098918
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide
CID 155681473
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079

Frequently Asked Questions

What is the IUPAC name of ethane;5-nitro-N-phenylfuran-2-carboxamide?
The IUPAC name of ethane;5-nitro-N-phenylfuran-2-carboxamide (CID 145187045) is ethane;5-nitro-N-phenylfuran-2-carboxamide.
What is the SMILES notation for ethane;5-nitro-N-phenylfuran-2-carboxamide?
The canonical SMILES for ethane;5-nitro-N-phenylfuran-2-carboxamide is CC.O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of ethane;5-nitro-N-phenylfuran-2-carboxamide?
The InChIKey is ITRKJUWCNYXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4.C2H6/c14-11(12-8-4-2-1-3-5-8)9-6-7-10(17-9)13(15)16;1-2/h1-7H,(H,12,14);1-2H3.
What are the key properties of ethane;5-nitro-N-phenylfuran-2-carboxamide?
ethane;5-nitro-N-phenylfuran-2-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-nitro-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 145187045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).