N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide

C17H10FIN2O4 — CID 2233721

IUPACN-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H10FIN2O4/c18-13-9-11(19)4-5-14(13)20-17(22)16-7-6-15(25-16)10-2-1-3-12(8-10)21(23)24/h1-9H,(H,20,22)
InChIKeyOQJQMFSOJXTHAE-UHFFFAOYSA-N
MW452.18 g/mol
LogP4.85
Rot. Bonds4

About N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide

N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 2233721) has the molecular formula C17H10FIN2O4 and a molecular weight of 452.18 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID2233721
Molecular FormulaC17H10FIN2O4
Molecular Weight452.18 g/mol
Exact Mass451.97
IUPAC NameN-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H10FIN2O4/c18-13-9-11(19)4-5-14(13)20-17(22)16-7-6-15(25-16)10-2-1-3-12(8-10)21(23)24/h1-9H,(H,20,22)
InChIKeyOQJQMFSOJXTHAE-UHFFFAOYSA-N
XLogP4.85
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.18
LogP ≤ 54.85
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-fluoro-4-iodophenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17115383
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3893261
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5038151
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
5-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)furan-2-carboxamide
CID 2232193
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 15987569

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide (CID 2233721) is N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc(I)cc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is OQJQMFSOJXTHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FIN2O4/c18-13-9-11(19)4-5-14(13)20-17(22)16-7-6-15(25-16)10-2-1-3-12(8-10)21(23)24/h1-9H,(H,20,22).
What are the key properties of N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide?
N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 452.18 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 2233721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).