4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C16H13FN4O5 — CID 5145556

IUPAC4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NN=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13FN4O5/c17-12-4-2-11(3-5-12)16(24)18-9-15(23)20-19-8-10-1-6-14(22)13(7-10)21(25)26/h1-8,22H,9H2,(H,18,24)(H,20,23)
InChIKeyCLZKHENNWBLHOH-UHFFFAOYSA-N
MW360.30 g/mol
LogP1.32
Rot. Bonds6

About 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 5145556) has the molecular formula C16H13FN4O5 and a molecular weight of 360.30 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID5145556
Molecular FormulaC16H13FN4O5
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC Name4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NN=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H13FN4O5/c17-12-4-2-11(3-5-12)16(24)18-9-15(23)20-19-8-10-1-6-14(22)13(7-10)21(25)26/h1-8,22H,9H2,(H,18,24)(H,20,23)
InChIKeyCLZKHENNWBLHOH-UHFFFAOYSA-N
XLogP1.32
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 5145556) is 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NN=Cc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is CLZKHENNWBLHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O5/c17-12-4-2-11(3-5-12)16(24)18-9-15(23)20-19-8-10-1-6-14(22)13(7-10)21(25)26/h1-8,22H,9H2,(H,18,24)(H,20,23).
What are the key properties of 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 360.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 5145556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).