N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide

C12H10N2O5 — CID 28739301

IUPACN-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1
InChIInChI=1S/C12H10N2O5/c1-13(8-2-4-9(15)5-3-8)12(16)10-6-7-11(19-10)14(17)18/h2-7,15H,1H3
InChIKeyNWDITNMFGKTMOO-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.17
Rot. Bonds3

About N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide

N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide (PubChem CID 28739301) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide
PubChem CID28739301
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC NameN-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1
InChIInChI=1S/C12H10N2O5/c1-13(8-2-4-9(15)5-3-8)12(16)10-6-7-11(19-10)14(17)18/h2-7,15H,1H3
InChIKeyNWDITNMFGKTMOO-UHFFFAOYSA-N
XLogP2.17
TPSA96.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 62983455
[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
CID 53323017
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
N-ethyl-5-nitro-N-phenylfuran-2-carboxamide
CID 773502
N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 102638202
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
2-N,5-N-dimethyl-2-N,5-N-diphenylfuran-2,5-dicarboxamide
CID 154862775
N-(4-hydroxyphenyl)-N-methyl-4-nitro-1H-pyrrole-2-carboxamide
CID 28741041
N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide
CID 28739109
N,N-bis(cyanomethyl)-5-nitrofuran-2-carboxamide
CID 3312705
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 54942261

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide (CID 28739301) is N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide is CN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide?
The InChIKey is NWDITNMFGKTMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-13(8-2-4-9(15)5-3-8)12(16)10-6-7-11(19-10)14(17)18/h2-7,15H,1H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide?
N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide has a molecular weight of 262.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 28739301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).