5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide

C23H19FN2O4 — CID 88923051

IUPAC5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NO)c1cc2c(o1)CCN(C(=O)C(=Cc1ccccc1)c1ccc(F)cc1)C2
InChIInChI=1S/C23H19FN2O4/c24-18-8-6-16(7-9-18)19(12-15-4-2-1-3-5-15)23(28)26-11-10-20-17(14-26)13-21(30-20)22(27)25-29/h1-9,12-13,29H,10-11,14H2,(H,25,27)
InChIKeyAIWXFSCGTKJSIW-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.66
Rot. Bonds4

About 5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide

5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide (PubChem CID 88923051) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide
PubChem CID88923051
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NO)c1cc2c(o1)CCN(C(=O)C(=Cc1ccccc1)c1ccc(F)cc1)C2
InChIInChI=1S/C23H19FN2O4/c24-18-8-6-16(7-9-18)19(12-15-4-2-1-3-5-15)23(28)26-11-10-20-17(14-26)13-21(30-20)22(27)25-29/h1-9,12-13,29H,10-11,14H2,(H,25,27)
InChIKeyAIWXFSCGTKJSIW-UHFFFAOYSA-N
XLogP3.66
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide (CID 88923051) is 5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide is O=C(NO)c1cc2c(o1)CCN(C(=O)C(=Cc1ccccc1)c1ccc(F)cc1)C2.
What is the InChIKey of 5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is AIWXFSCGTKJSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c24-18-8-6-16(7-9-18)19(12-15-4-2-1-3-5-15)23(28)26-11-10-20-17(14-26)13-21(30-20)22(27)25-29/h1-9,12-13,29H,10-11,14H2,(H,25,27).
What are the key properties of 5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide?
5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 88923051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).