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

C13H9N3O5 — CID 43369164

IUPACN-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide
SMILESN#CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H9N3O5/c14-6-7-20-10-3-1-2-9(8-10)15-13(17)11-4-5-12(21-11)16(18)19/h1-5,8H,7H2,(H,15,17)
InChIKeyNAZWRFZPVLGPHX-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.34
Rot. Bonds5

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

N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 43369164) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide
PubChem CID43369164
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC NameN-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide
SMILESN#CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H9N3O5/c14-6-7-20-10-3-1-2-9(8-10)15-13(17)11-4-5-12(21-11)16(18)19/h1-5,8H,7H2,(H,15,17)
InChIKeyNAZWRFZPVLGPHX-UHFFFAOYSA-N
XLogP2.34
TPSA118.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 33098918
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575
N-[3-(cyanomethoxy)phenyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55800345
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079
[3-(cyanomethoxy)phenyl]urea
CID 43369607
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
N-[3-(diethylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 51148651
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitrofuran-2-carboxamide
CID 28669553
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide (CID 43369164) is N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide is N#CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is NAZWRFZPVLGPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5/c14-6-7-20-10-3-1-2-9(8-10)15-13(17)11-4-5-12(21-11)16(18)19/h1-5,8H,7H2,(H,15,17).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide?
N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 287.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 43369164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).