N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide

C17H10F2N2O4 — CID 801149

IUPACN-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C17H10F2N2O4/c18-10-5-6-13(12(19)9-10)20-17(22)16-8-7-15(25-16)11-3-1-2-4-14(11)21(23)24/h1-9H,(H,20,22)
InChIKeyLQYOKBJREYWXEF-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.39
Rot. Bonds4

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

N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 801149) has the molecular formula C17H10F2N2O4 and a molecular weight of 344.27 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID801149
Molecular FormulaC17H10F2N2O4
Molecular Weight344.27 g/mol
Exact Mass344.06
IUPAC NameN-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C17H10F2N2O4/c18-10-5-6-13(12(19)9-10)20-17(22)16-8-7-15(25-16)11-3-1-2-4-14(11)21(23)24/h1-9H,(H,20,22)
InChIKeyLQYOKBJREYWXEF-UHFFFAOYSA-N
XLogP4.39
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.39
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-(2,4-difluorophenyl)-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

N-[(4-bromo-2-fluorophenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17104813
N-[(2-bromo-4,6-difluorophenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17113464
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
5-(2-chlorophenyl)-N-(2-nitrophenyl)furan-2-carboxamide
CID 2946540
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1315583
N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840683
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
N-(2,4-difluorophenyl)-2-[5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 4006586
N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 2979366
N-[(4-methyl-2-nitrophenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 22778434
N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1294332
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 801149) is N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is LQYOKBJREYWXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2O4/c18-10-5-6-13(12(19)9-10)20-17(22)16-8-7-15(25-16)11-3-1-2-4-14(11)21(23)24/h1-9H,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 344.27 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 801149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).