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

C21H20N2O4 — CID 23880882

IUPACN-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C21H20N2O4/c1-3-14(2)15-8-10-16(11-9-15)22-21(24)20-13-12-19(27-20)17-6-4-5-7-18(17)23(25)26/h4-14H,3H2,1-2H3,(H,22,24)
InChIKeyWQPBGINMADXOTM-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.62
Rot. Bonds6

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

N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 23880882) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID23880882
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C21H20N2O4/c1-3-14(2)15-8-10-16(11-9-15)22-21(24)20-13-12-19(27-20)17-6-4-5-7-18(17)23(25)26/h4-14H,3H2,1-2H3,(H,22,24)
InChIKeyWQPBGINMADXOTM-UHFFFAOYSA-N
XLogP5.62
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.62
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'}

Analyze N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate
CID 1347194
N-[4-[(2R)-butan-2-yl]phenyl]-2-methyl-3-nitrobenzamide
CID 1083362
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1348898
N-[2-chloro-5-(propanoylamino)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 22776195
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17118246
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-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17334534
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

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 23880882) is N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is CCC(C)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is WQPBGINMADXOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-14(2)15-8-10-16(11-9-15)22-21(24)20-13-12-19(27-20)17-6-4-5-7-18(17)23(25)26/h4-14H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 23880882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).