5-nitro-N-(2-phenylphenyl)furan-2-carboxamide

C17H12N2O4 — CID 23829547

IUPAC5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H12N2O4/c20-17(15-10-11-16(23-15)19(21)22)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,18,20)
InChIKeyRNWMNYHYCQJZQK-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.11
Rot. Bonds4

About 5-nitro-N-(2-phenylphenyl)furan-2-carboxamide

5-nitro-N-(2-phenylphenyl)furan-2-carboxamide (PubChem CID 23829547) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 5-nitro-N-(2-phenylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
PubChem CID23829547
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H12N2O4/c20-17(15-10-11-16(23-15)19(21)22)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,18,20)
InChIKeyRNWMNYHYCQJZQK-UHFFFAOYSA-N
XLogP4.11
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.11
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-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide
CID 58802050
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
5-nitro-N-(2-sulfamoylphenyl)furan-2-carboxamide
CID 61128250
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991
N-[2-(1-chloroethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 114304944
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 51148461
N-(2-bromo-3-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 103479831

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-phenylphenyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(2-phenylphenyl)furan-2-carboxamide (CID 23829547) is 5-nitro-N-(2-phenylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(2-phenylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(2-phenylphenyl)furan-2-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(2-phenylphenyl)furan-2-carboxamide?
The InChIKey is RNWMNYHYCQJZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-17(15-10-11-16(23-15)19(21)22)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,18,20).
What are the key properties of 5-nitro-N-(2-phenylphenyl)furan-2-carboxamide?
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide has a molecular weight of 308.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-phenylphenyl)furan-2-carboxamide is sourced from PubChem (CID 23829547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).