5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide

C20H18N2O4 — CID 23877668

IUPAC5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C20H18N2O4/c1-13(2)14-7-9-15(10-8-14)21-20(23)19-12-11-18(26-19)16-5-3-4-6-17(16)22(24)25/h3-13H,1-2H3,(H,21,23)
InChIKeyBRYNVGKMRLXKIQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP5.23
Rot. Bonds5

About 5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide

5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide (PubChem CID 23877668) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
PubChem CID23877668
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C20H18N2O4/c1-13(2)14-7-9-15(10-8-14)21-20(23)19-12-11-18(26-19)16-5-3-4-6-17(16)22(24)25/h3-13H,1-2H3,(H,21,23)
InChIKeyBRYNVGKMRLXKIQ-UHFFFAOYSA-N
XLogP5.23
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.23
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-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 23880882
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate
CID 1347194
N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17117332
5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide
CID 2986929
2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 3517878
1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 4568237
N-[2-chloro-5-(propanoylamino)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 22776195
N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 2953584
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17118246
N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1244911

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide (CID 23877668) is 5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide is CC(C)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1.
What is the InChIKey of 5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The InChIKey is BRYNVGKMRLXKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13(2)14-7-9-15(10-8-14)21-20(23)19-12-11-18(26-19)16-5-3-4-6-17(16)22(24)25/h3-13H,1-2H3,(H,21,23).
What are the key properties of 5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 23877668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).