3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide

C18H16FN3O2 — CID 6870484

IUPAC3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C18H16FN3O2/c19-16-10-4-9-15(12-16)18(24)20-13-17(23)22-21-11-5-8-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,24)(H,22,23)/b8-5+,21-11+
InChIKeyRFABLNLMMRWDJH-JPDQMXGXSA-N
MW325.34 g/mol
LogP2.37
Rot. Bonds6

About 3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide

3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide (PubChem CID 6870484) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
PubChem CID6870484
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C18H16FN3O2/c19-16-10-4-9-15(12-16)18(24)20-13-17(23)22-21-11-5-8-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,24)(H,22,23)/b8-5+,21-11+
InChIKeyRFABLNLMMRWDJH-JPDQMXGXSA-N
XLogP2.37
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide (CID 6870484) is 3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1cccc(F)c1)N/N=C/C=C/c1ccccc1.
What is the InChIKey of 3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is RFABLNLMMRWDJH-JPDQMXGXSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-16-10-4-9-15(12-16)18(24)20-13-17(23)22-21-11-5-8-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,24)(H,22,23)/b8-5+,21-11+.
What are the key properties of 3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide?
3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6870484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).