N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide

C12H10N2O5 — CID 774010

IUPACN-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C12H10N2O5/c1-18-9-4-2-8(3-5-9)13-12(15)10-6-7-11(19-10)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyGMDLNQKNDFFWBU-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.45
Rot. Bonds4

About N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide

N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 774010) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
PubChem CID774010
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC NameN-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C12H10N2O5/c1-18-9-4-2-8(3-5-9)13-12(15)10-6-7-11(19-10)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyGMDLNQKNDFFWBU-UHFFFAOYSA-N
XLogP2.45
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide (CID 774010) is N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is GMDLNQKNDFFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-18-9-4-2-8(3-5-9)13-12(15)10-6-7-11(19-10)14(16)17/h2-7H,1H3,(H,13,15).
What are the key properties of N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide?
N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 262.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 774010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).