N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide

C13H12N2O5 — CID 33098918

IUPACN-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
SMILESCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H12N2O5/c1-19-8-9-3-2-4-10(7-9)14-13(16)11-5-6-12(20-11)15(17)18/h2-7H,8H2,1H3,(H,14,16)
InChIKeyMSQMVDGFPIMJJX-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.59
Rot. Bonds5

About N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide

N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 33098918) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
PubChem CID33098918
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC NameN-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
SMILESCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H12N2O5/c1-19-8-9-3-2-4-10(7-9)14-13(16)11-5-6-12(20-11)15(17)18/h2-7H,8H2,1H3,(H,14,16)
InChIKeyMSQMVDGFPIMJJX-UHFFFAOYSA-N
XLogP2.59
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.59
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-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079
N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 8883872
N-[3-(diethylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 51148651
N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide
CID 43369164
N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 60540832
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155681472
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitrofuran-2-carboxamide
CID 28669553
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide (CID 33098918) is N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide is COCc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is MSQMVDGFPIMJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-19-8-9-3-2-4-10(7-9)14-13(16)11-5-6-12(20-11)15(17)18/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide?
N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 276.25 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 33098918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).