N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide

C17H11IN2O4 — CID 1289805

IUPACN-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H11IN2O4/c18-13-6-1-2-7-14(13)19-17(21)16-9-8-15(24-16)11-4-3-5-12(10-11)20(22)23/h1-10H,(H,19,21)
InChIKeyITHVFMCJBLTLPR-UHFFFAOYSA-N
MW434.19 g/mol
LogP4.71
Rot. Bonds4

About N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide

N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 1289805) has the molecular formula C17H11IN2O4 and a molecular weight of 434.19 g/mol. Its IUPAC name is N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID1289805
Molecular FormulaC17H11IN2O4
Molecular Weight434.19 g/mol
Exact Mass433.98
IUPAC NameN-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H11IN2O4/c18-13-6-1-2-7-14(13)19-17(21)16-9-8-15(24-16)11-4-3-5-12(10-11)20(22)23/h1-10H,(H,19,21)
InChIKeyITHVFMCJBLTLPR-UHFFFAOYSA-N
XLogP4.71
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.19
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 2233721
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 15987569
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
butyl 2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoate
CID 5262308
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5038151
N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 738264

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (CID 1289805) is N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccccc1I)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is ITHVFMCJBLTLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11IN2O4/c18-13-6-1-2-7-14(13)19-17(21)16-9-8-15(24-16)11-4-3-5-12(10-11)20(22)23/h1-10H,(H,19,21).
What are the key properties of N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 434.19 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 1289805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).