N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C17H12FN3O5 — CID 134024539

IUPACN-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C17H12FN3O5/c18-13-6-4-11(21(24)25)9-14(13)19-17(23)15-7-5-12(26-15)10-20-8-2-1-3-16(20)22/h1-9H,10H2,(H,19,23)
InChIKeyCJSBQKBXRPAAHF-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.79
Rot. Bonds5

About N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 134024539) has the molecular formula C17H12FN3O5 and a molecular weight of 357.30 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID134024539
Molecular FormulaC17H12FN3O5
Molecular Weight357.30 g/mol
Exact Mass357.08
IUPAC NameN-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C17H12FN3O5/c18-13-6-4-11(21(24)25)9-14(13)19-17(23)15-7-5-12(26-15)10-20-8-2-1-3-16(20)22/h1-9H,10H2,(H,19,23)
InChIKeyCJSBQKBXRPAAHF-UHFFFAOYSA-N
XLogP2.79
TPSA107.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.79
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-chloro-4-fluorophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31328053
N-[5-chloro-2-(dimethylamino)phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024505
N-(5-chloro-2-phenoxyphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31336184
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024336
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024440
N-[(1R)-1-(2-fluorophenyl)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31343638
5-[(2-oxo-1-pyridinyl)methyl]-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide
CID 31518835
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31518398
N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463215
5-[(2-oxo-1-pyridinyl)methyl]-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 60549570
N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024272
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 134024539) is N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is CJSBQKBXRPAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O5/c18-13-6-4-11(21(24)25)9-14(13)19-17(23)15-7-5-12(26-15)10-20-8-2-1-3-16(20)22/h1-9H,10H2,(H,19,23).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 357.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 134024539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).