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

C18H13IN2O6 — CID 19446067

IUPACN-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C18H13IN2O6/c19-11-1-4-13(5-2-11)26-10-14-6-8-17(27-14)18(23)20-15-7-3-12(21(24)25)9-16(15)22/h1-9,22H,10H2,(H,20,23)
InChIKeyMUFMVVDAVDVUDX-UHFFFAOYSA-N
MW480.21 g/mol
LogP4.33
Rot. Bonds6

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

N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide (PubChem CID 19446067) has the molecular formula C18H13IN2O6 and a molecular weight of 480.21 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
PubChem CID19446067
Molecular FormulaC18H13IN2O6
Molecular Weight480.21 g/mol
Exact Mass479.98
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(COc2ccc(I)cc2)o1
InChIInChI=1S/C18H13IN2O6/c19-11-1-4-13(5-2-11)26-10-14-6-8-17(27-14)18(23)20-15-7-3-12(21(24)25)9-16(15)22/h1-9,22H,10H2,(H,20,23)
InChIKeyMUFMVVDAVDVUDX-UHFFFAOYSA-N
XLogP4.33
TPSA114.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.21
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-5-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446066
5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19417299
N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451270
5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
CID 19450414
N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465375
N-(2-cyanophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19440079
N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413316
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)furan-2-carboxamide
CID 19417030
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19440040
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19417254
N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463215

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide (CID 19446067) is N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(COc2ccc(I)cc2)o1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
The InChIKey is MUFMVVDAVDVUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13IN2O6/c19-11-1-4-13(5-2-11)26-10-14-6-8-17(27-14)18(23)20-15-7-3-12(21(24)25)9-16(15)22/h1-9,22H,10H2,(H,20,23).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide?
N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide has a molecular weight of 480.21 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19446067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).