3-(3-aminophenyl)-5-nitrofuran-2-carboxamide

C11H9N3O4 — CID 175705176

IUPAC3-(3-aminophenyl)-5-nitrofuran-2-carboxamide
SMILESNC(=O)c1oc([N+](=O)[O-])cc1-c1cccc(N)c1
InChIInChI=1S/C11H9N3O4/c12-7-3-1-2-6(4-7)8-5-9(14(16)17)18-10(8)11(13)15/h1-5H,12H2,(H2,13,15)
InChIKeyVXLBQNYMERYDNC-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.54
Rot. Bonds3

About 3-(3-aminophenyl)-5-nitrofuran-2-carboxamide

3-(3-aminophenyl)-5-nitrofuran-2-carboxamide (PubChem CID 175705176) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 3-(3-aminophenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-5-nitrofuran-2-carboxamide
PubChem CID175705176
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name3-(3-aminophenyl)-5-nitrofuran-2-carboxamide
SMILESNC(=O)c1oc([N+](=O)[O-])cc1-c1cccc(N)c1
InChIInChI=1S/C11H9N3O4/c12-7-3-1-2-6(4-7)8-5-9(14(16)17)18-10(8)11(13)15/h1-5H,12H2,(H2,13,15)
InChIKeyVXLBQNYMERYDNC-UHFFFAOYSA-N
XLogP1.54
TPSA125.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of 3-(3-aminophenyl)-5-nitrofuran-2-carboxamide (CID 175705176) is 3-(3-aminophenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for 3-(3-aminophenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for 3-(3-aminophenyl)-5-nitrofuran-2-carboxamide is NC(=O)c1oc([N+](=O)[O-])cc1-c1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is VXLBQNYMERYDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c12-7-3-1-2-6(4-7)8-5-9(14(16)17)18-10(8)11(13)15/h1-5H,12H2,(H2,13,15).
What are the key properties of 3-(3-aminophenyl)-5-nitrofuran-2-carboxamide?
3-(3-aminophenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 247.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 175705176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).