N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide

C26H22N2O4 — CID 2480078

IUPACN-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C26H22N2O4/c29-26(25-16-15-24(32-25)21-11-13-22(14-12-21)28(30)31)27-18-17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,23H,17-18H2,(H,27,29)
InChIKeySLXDMBKRBXFZHC-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.81
Rot. Bonds8

About N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide

N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide (PubChem CID 2480078) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide
PubChem CID2480078
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C26H22N2O4/c29-26(25-16-15-24(32-25)21-11-13-22(14-12-21)28(30)31)27-18-17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,23H,17-18H2,(H,27,29)
InChIKeySLXDMBKRBXFZHC-UHFFFAOYSA-N
XLogP5.81
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.81
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-(3,3-diphenylpropyl)-5-(4-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-(4-nitrophenyl)furan-2-carboxylate
CID 4616197
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 4827251
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
CID 6129980
5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide
CID 9452991
[2-oxo-2-(2-phenoxyethylamino)ethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 8569281
1-(4-chlorophenyl)-N-(3,3-diphenylpropyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42662908
N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide
CID 4257835
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylfuran-2-carboxamide
CID 4108306
4-(4-nitrophenyl)-4-phenylbutanoic acid
CID 70520346
1-(2-ethylphenyl)-3-[[5-(4-nitrophenyl)furan-2-carbonyl]amino]thiourea
CID 18871728

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide (CID 2480078) is N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The InChIKey is SLXDMBKRBXFZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c29-26(25-16-15-24(32-25)21-11-13-22(14-12-21)28(30)31)27-18-17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,23H,17-18H2,(H,27,29).
What are the key properties of N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide?
N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-5-(4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 2480078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).