N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide

C13H12N2O5 — CID 779741

IUPACN-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H12N2O5/c1-19-10-5-3-2-4-9(10)8-14-13(16)11-6-7-12(20-11)15(17)18/h2-7H,8H2,1H3,(H,14,16)
InChIKeyVZQIZHBNJHJIOR-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.13
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide

N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide (PubChem CID 779741) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide
PubChem CID779741
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H12N2O5/c1-19-10-5-3-2-4-9(10)8-14-13(16)11-6-7-12(20-11)15(17)18/h2-7H,8H2,1H3,(H,14,16)
InChIKeyVZQIZHBNJHJIOR-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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'}

Analyze N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 726209
N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 774010
N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
CID 694001
N-benzyl-5-nitrofuran-2-carboxamide
CID 2796393
N-(2-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 694009
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
N-(2,4-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 799289
(2Z)-2-(Furan-2-ylformamido)-N-(2-hydroxyethyl)-3-(3-nitrophenyl)prop-2-enamide
CID 1900081
[2-Oxo-2-(3-phenylpropylamino)ethyl] 5-nitrofuran-2-carboxylate
CID 2099057
(3-Methylpiperidin-1-yl)-(5-nitrofuran-2-yl)methanone
CID 2843374
N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide
CID 2985947
5-nitro-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide
CID 4178147

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide (CID 779741) is N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide is COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide?
The InChIKey is VZQIZHBNJHJIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-19-10-5-3-2-4-9(10)8-14-13(16)11-6-7-12(20-11)15(17)18/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide has a molecular weight of 276.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 779741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).