5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide

C18H13ClINO3 — CID 126206502

IUPAC5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H13ClINO3/c19-12-1-7-15(8-2-12)23-11-16-9-10-17(24-16)18(22)21-14-5-3-13(20)4-6-14/h1-10H,11H2,(H,21,22)
InChIKeyKNSGTXDWLGESBV-UHFFFAOYSA-N
MW453.66 g/mol
LogP5.37
Rot. Bonds5

About 5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide

5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide (PubChem CID 126206502) has the molecular formula C18H13ClINO3 and a molecular weight of 453.66 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
PubChem CID126206502
Molecular FormulaC18H13ClINO3
Molecular Weight453.66 g/mol
Exact Mass452.96
IUPAC Name5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H13ClINO3/c19-12-1-7-15(8-2-12)23-11-16-9-10-17(24-16)18(22)21-14-5-3-13(20)4-6-14/h1-10H,11H2,(H,21,22)
InChIKeyKNSGTXDWLGESBV-UHFFFAOYSA-N
XLogP5.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.66
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19417254
N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19417251
5-[(4-chlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413705
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19440079
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide (CID 126206502) is 5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide is O=C(Nc1ccc(I)cc1)c1ccc(COc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide?
The InChIKey is KNSGTXDWLGESBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClINO3/c19-12-1-7-15(8-2-12)23-11-16-9-10-17(24-16)18(22)21-14-5-3-13(20)4-6-14/h1-10H,11H2,(H,21,22).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide?
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide has a molecular weight of 453.66 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide is sourced from PubChem (CID 126206502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).