2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

C17H15FN4O4 — CID 46496027

IUPAC2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N/NC(=O)CNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15FN4O4/c1-11(12-5-4-6-13(9-12)22(25)26)20-21-16(23)10-19-17(24)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,19,24)(H,21,23)/b20-11-
InChIKeyNZCJLCKEFAXDEL-JAIQZWGSSA-N
MW358.33 g/mol
LogP2.00
Rot. Bonds6

About 2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 46496027) has the molecular formula C17H15FN4O4 and a molecular weight of 358.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID46496027
Molecular FormulaC17H15FN4O4
Molecular Weight358.33 g/mol
Exact Mass358.11
IUPAC Name2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N/NC(=O)CNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15FN4O4/c1-11(12-5-4-6-13(9-12)22(25)26)20-21-16(23)10-19-17(24)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,19,24)(H,21,23)/b20-11-
InChIKeyNZCJLCKEFAXDEL-JAIQZWGSSA-N
XLogP2.00
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 46496027) is 2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is C/C(=N/NC(=O)CNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is NZCJLCKEFAXDEL-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H15FN4O4/c1-11(12-5-4-6-13(9-12)22(25)26)20-21-16(23)10-19-17(24)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,19,24)(H,21,23)/b20-11-.
What are the key properties of 2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 358.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 46496027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).