N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

C12H10N2O5 — CID 2787073

IUPACN-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O5/c1-18-8-4-5-9(10(7-8)14(16)17)13-12(15)11-3-2-6-19-11/h2-7H,1H3,(H,13,15)
InChIKeyYVSLGWKHGUBBCV-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.45
Rot. Bonds4

About N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide (PubChem CID 2787073) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
PubChem CID2787073
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC NameN-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O5/c1-18-8-4-5-9(10(7-8)14(16)17)13-12(15)11-3-2-6-19-11/h2-7H,1H3,(H,13,15)
InChIKeyYVSLGWKHGUBBCV-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-methoxy-2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide (CID 2787073) is N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide is COc1ccc(NC(=O)c2ccco2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The InChIKey is YVSLGWKHGUBBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-18-8-4-5-9(10(7-8)14(16)17)13-12(15)11-3-2-6-19-11/h2-7H,1H3,(H,13,15).
What are the key properties of N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
N-(4-methoxy-2-nitrophenyl)furan-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-methoxy-2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 2787073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).