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

C19H16N2O7 — CID 19451270

IUPACN-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)o2)cc1
InChIInChI=1S/C19H16N2O7/c1-26-13-3-5-14(6-4-13)27-11-15-7-9-18(28-15)19(23)20-16-10-12(21(24)25)2-8-17(16)22/h2-10,22H,11H2,1H3,(H,20,23)
InChIKeyQELWMEWGXVVSMF-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.73
Rot. Bonds7

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

N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19451270) has the molecular formula C19H16N2O7 and a molecular weight of 384.34 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19451270
Molecular FormulaC19H16N2O7
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)o2)cc1
InChIInChI=1S/C19H16N2O7/c1-26-13-3-5-14(6-4-13)27-11-15-7-9-18(28-15)19(23)20-16-10-12(21(24)25)2-8-17(16)22/h2-10,22H,11H2,1H3,(H,20,23)
InChIKeyQELWMEWGXVVSMF-UHFFFAOYSA-N
XLogP3.73
TPSA124.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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
N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446067
5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19417299
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)furan-2-carboxamide
CID 19417030
5-[(4-ethylphenoxy)methyl]-N-(3-methoxy-5-nitrophenyl)furan-2-carboxamide
CID 19446630
methyl 4-[[5-[(5-chloro-2-hydroxyphenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448963
5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 19412725
N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413316
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465525
N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465375
5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
CID 19450414
methyl 1-methyl-4-[[5-[(4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342126

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19451270) is N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccc(OCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)o2)cc1.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is QELWMEWGXVVSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O7/c1-26-13-3-5-14(6-4-13)27-11-15-7-9-18(28-15)19(23)20-16-10-12(21(24)25)2-8-17(16)22/h2-10,22H,11H2,1H3,(H,20,23).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19451270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).