3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C16H13FN4O5 — CID 3441945

IUPAC3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)NN=Cc1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H13FN4O5/c17-12-3-1-2-10(6-12)16(24)18-9-15(23)20-19-8-11-7-13(22)4-5-14(11)21(25)26/h1-8,22H,9H2,(H,18,24)(H,20,23)
InChIKeyUUDFZIMTJNKKKM-UHFFFAOYSA-N
MW360.30 g/mol
LogP1.32
Rot. Bonds6

About 3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 3441945) has the molecular formula C16H13FN4O5 and a molecular weight of 360.30 g/mol. Its IUPAC name is 3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID3441945
Molecular FormulaC16H13FN4O5
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC Name3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)NN=Cc1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H13FN4O5/c17-12-3-1-2-10(6-12)16(24)18-9-15(23)20-19-8-11-7-13(22)4-5-14(11)21(25)26/h1-8,22H,9H2,(H,18,24)(H,20,23)
InChIKeyUUDFZIMTJNKKKM-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': 'imine_1', 'substructure': 'N/A'}, {'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 3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 3441945) is 3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(F)c1)NN=Cc1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is UUDFZIMTJNKKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O5/c17-12-3-1-2-10(6-12)16(24)18-9-15(23)20-19-8-11-7-13(22)4-5-14(11)21(25)26/h1-8,22H,9H2,(H,18,24)(H,20,23).
What are the key properties of 3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[2-[(5-hydroxy-2-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 3-fluoro-N-[2-[2-[(5-hydroxy-2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3441945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).