5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide

C17H12FN3O5 — CID 4054316

IUPAC5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C17H12FN3O5/c18-11-1-4-13(5-2-11)25-10-14-6-7-15(26-14)17(22)20-16-8-3-12(9-19-16)21(23)24/h1-9H,10H2,(H,19,20,22)
InChIKeyFCBYQVCBWSWYCZ-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.55
Rot. Bonds6

About 5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide (PubChem CID 4054316) has the molecular formula C17H12FN3O5 and a molecular weight of 357.30 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
PubChem CID4054316
Molecular FormulaC17H12FN3O5
Molecular Weight357.30 g/mol
Exact Mass357.08
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C17H12FN3O5/c18-11-1-4-13(5-2-11)25-10-14-6-7-15(26-14)17(22)20-16-8-3-12(9-19-16)21(23)24/h1-9H,10H2,(H,19,20,22)
InChIKeyFCBYQVCBWSWYCZ-UHFFFAOYSA-N
XLogP3.55
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide (CID 4054316) is 5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide?
The InChIKey is FCBYQVCBWSWYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O5/c18-11-1-4-13(5-2-11)25-10-14-6-7-15(26-14)17(22)20-16-8-3-12(9-19-16)21(23)24/h1-9H,10H2,(H,19,20,22).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide has a molecular weight of 357.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-(5-nitro-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 4054316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).