5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide

C19H15IN2O6 — CID 19417299

IUPAC5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C19H15IN2O6/c1-26-18-10-13(22(24)25)4-8-16(18)21-19(23)17-9-7-15(28-17)11-27-14-5-2-12(20)3-6-14/h2-10H,11H2,1H3,(H,21,23)
InChIKeyRWGIXCUOPHDIJC-UHFFFAOYSA-N
MW494.24 g/mol
LogP4.63
Rot. Bonds7

About 5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide

5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide (PubChem CID 19417299) has the molecular formula C19H15IN2O6 and a molecular weight of 494.24 g/mol. Its IUPAC name is 5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
PubChem CID19417299
Molecular FormulaC19H15IN2O6
Molecular Weight494.24 g/mol
Exact Mass494.00
IUPAC Name5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C19H15IN2O6/c1-26-18-10-13(22(24)25)4-8-16(18)21-19(23)17-9-7-15(28-17)11-27-14-5-2-12(20)3-6-14/h2-10H,11H2,1H3,(H,21,23)
InChIKeyRWGIXCUOPHDIJC-UHFFFAOYSA-N
XLogP4.63
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446067
N-(2-hydroxy-5-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446066
5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19452686
N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451270
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19459275
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19447050
N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413316
N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465375
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)furan-2-carboxamide
CID 19417030
N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19440079
5-[(3,4-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)furan-2-carboxamide
CID 19450848
5-[(4-ethylphenoxy)methyl]-N-(3-methoxy-5-nitrophenyl)furan-2-carboxamide
CID 19446630

Frequently Asked Questions

What is the IUPAC name of 5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide (CID 19417299) is 5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2ccc(I)cc2)o1.
What is the InChIKey of 5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The InChIKey is RWGIXCUOPHDIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN2O6/c1-26-18-10-13(22(24)25)4-8-16(18)21-19(23)17-9-7-15(28-17)11-27-14-5-2-12(20)3-6-14/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of 5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide has a molecular weight of 494.24 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 19417299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).